 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Chair_STD_wB97XD-def2SVPDr.in
 Output=27_methylindane_Chair_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/27_methylindane_Chair_STD/Gau-13455.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/27_methylindane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13460.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=27_methylindane_Chair_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 18:18:23 2021, MaxMem= 10737418240 cpu:               3.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Chair_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.295974000000     -1.028853000000     -0.128687000000
  C                                                -2.606029000000      0.291875000000      0.183416000000
  C                                                -0.973478000000     -1.409110000000     -0.342457000000
  C                                                 0.029531000000     -0.455263000000     -0.247794000000
  C                                                -0.281499000000      0.868664000000      0.064239000000
  C                                                -1.598106000000      1.247679000000      0.283733000000
  C                                                 1.523670000000     -0.639314000000     -0.396640000000
  C                                                 2.019669000000      0.816964000000     -0.580832000000
  C                                                 0.972315000000      1.705463000000      0.125740000000
  H                                                -3.088043000000     -1.762337000000     -0.209833000000
  H                                                -3.637708000000      0.578196000000      0.343549000000
  H                                                -0.735344000000     -2.437795000000     -0.586593000000
  H                                                -1.844116000000      2.275439000000      0.523140000000
  H                                                 1.760590000000     -1.243210000000     -1.276257000000
  C                                                 2.130571000000     -1.320158000000      0.835970000000
  H                                                 2.034988000000      1.060247000000     -1.645001000000
  H                                                 3.029412000000      0.962676000000     -0.195614000000
  H                                                 0.857874000000      2.679448000000     -0.352616000000
  H                                                 1.250132000000      1.896413000000      1.167459000000
  H                                                 1.938821000000     -0.733184000000      1.737056000000
  H                                                 3.211182000000     -1.433117000000      0.725825000000
  H                                                 1.698191000000     -2.310454000000      0.988755000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 18:18:23 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392072   0.000000
     3  C    1.392583   2.415598   0.000000
     4  C    2.398159   2.773145   1.387376   0.000000
     5  C    2.774149   2.397984   2.415055   1.395309   0.000000
     6  C    2.416549   1.392671   2.800143   2.414898   1.387546
     7  C    3.848795   4.272937   2.613670   1.512773   2.396882
     8  C    4.715533   4.717719   3.737801   2.385398   2.390432
     9  C    4.268832   3.847870   3.702146   2.386861   1.508663
    10  H    1.082570   2.146339   2.147963   3.380703   3.856679
    11  H    2.146128   1.082582   3.393834   3.855693   3.380314
    12  H    2.151827   3.397569   1.083745   2.151802   3.400328
    13  H    3.398147   2.151848   3.883706   3.400239   2.152064
    14  H    4.221206   4.853297   2.893896   2.162212   3.229097
    15  C    4.539793   5.045776   3.321404   2.517331   3.347326
    16  H    5.041902   5.047033   4.104292   2.875903   2.885189
    17  H    5.685983   5.687867   4.655111   3.318518   3.322423
    18  H    4.873233   4.241045   4.479984   3.244003   2.179651
    19  H    4.776195   4.291021   4.260372   3.003862   2.149245
    20  H    4.637015   4.911233   3.641804   2.768078   3.208435
    21  H    5.587700   6.091777   4.318933   3.468002   4.234939
    22  H    4.341029   5.093819   3.118070   2.784818   3.857550
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.710679   0.000000
     8  C    3.744501   1.549415   0.000000
     9  C    2.615644   2.464722   1.544547   0.000000
    10  H    3.394660   4.750155   5.734035   5.350211   0.000000
    11  H    2.147501   5.354441   5.737369   4.750840   2.467075
    12  H    3.883883   2.893745   4.264222   4.537632   2.476567
    13  H    1.083572   4.547941   4.274896   2.900876   4.288151
    14  H    4.463063   1.092954   2.189761   3.358816   4.991592
    15  C    4.560897   1.533364   2.566499   3.316680   5.340708
    16  H    4.117586   2.169875   1.091731   2.163585   6.022635
    17  H    4.661000   2.207723   1.090507   2.210577   6.696951
    18  H    2.913201   3.385174   2.206966   1.091132   5.943072
    19  H    3.051932   2.991846   2.194064   1.094908   5.839790
    20  H    4.306486   2.175734   2.789642   3.078550   5.488068
    21  H    5.523709   2.176637   2.861804   3.901706   6.376839
    22  H    4.901320   2.177725   3.513929   4.171244   4.964381
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.287783   0.000000
    13  H    2.475855   4.967440   0.000000
    14  H    5.923083   2.851729   5.349077   0.000000
    15  C    6.092558   3.389140   5.368828   2.145766   0.000000
    16  H    6.030438   4.585986   4.607057   2.348868   3.439576
    17  H    6.699926   5.088168   5.098159   2.764712   2.661468
    18  H    5.011004   5.364631   2.868958   4.129801   4.362263
    19  H    5.129084   5.079781   3.183265   4.011178   3.351326
    20  H    5.895698   3.931438   4.983575   3.061364   1.092366
    21  H    7.148343   4.278655   6.272998   2.479640   1.092068
    22  H    6.101836   2.901729   5.813360   2.504632   1.091321
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760432   0.000000
    18  H    2.382786   2.772640   0.000000
    19  H    3.037286   2.428100   1.754320   0.000000
    20  H    3.829354   2.792945   4.145025   2.777321   0.000000
    21  H    3.636085   2.573308   4.859453   3.889284   1.769575
    22  H    4.290889   3.726695   5.234934   4.234433   1.762282
                   21         22
    21  H    0.000000
    22  H    1.768614   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4876774           1.1963393           0.8919853
 Leave Link  202 at Fri Jul 23 18:18:24 2021, MaxMem= 10737418240 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   316 symmetry adapted cartesian basis functions of A   symmetry.
 There are   296 symmetry adapted basis functions of A   symmetry.
   296 basis functions,   440 primitive gaussians,   316 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       505.9870942501 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0142436586 Hartrees.
 Nuclear repulsion after empirical dispersion term =      505.9728505916 Hartrees.
 Leave Link  301 at Fri Jul 23 18:18:25 2021, MaxMem= 10737418240 cpu:              13.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   296 RedAO= T EigKep=  4.80D-06  NBF=   296
 NBsUse=   296 1.00D-06 EigRej= -1.00D+00 NBFU=   296
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   316   316   316   316   316 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Fri Jul 23 18:18:26 2021, MaxMem= 10737418240 cpu:               7.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 18:18:26 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Chair_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 18:18:27 2021, MaxMem= 10737418240 cpu:               7.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737210298 LenY= 10737110001
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -387.912376818972    
 DIIS: error= 3.79D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -387.912376818972     IErMin= 1 ErrMin= 3.79D-03
 ErrMax= 3.79D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.23D-03 BMatP= 8.23D-03
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.79D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 GapD=    0.368 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.40D-03 MaxDP=3.27D-01              OVMax= 1.25D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.88D-03    CP:  1.18D+00
 E= -387.919396547973     Delta-E=       -0.007019729001 Rises=F Damp=F
 DIIS: error= 4.25D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -387.919396547973     IErMin= 2 ErrMin= 4.25D-04
 ErrMax= 4.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-04 BMatP= 8.23D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.25D-03
 Coeff-Com: -0.565D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.562D-01 0.106D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.73D-03 MaxDP=5.58D-02 DE=-7.02D-03 OVMax= 4.37D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.47D-04    CP:  1.22D+00  1.12D+00
 E= -387.919631237913     Delta-E=       -0.000234689940 Rises=F Damp=F
 DIIS: error= 2.16D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -387.919631237913     IErMin= 3 ErrMin= 2.16D-04
 ErrMax= 2.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.84D-05 BMatP= 1.34D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.16D-03
 Coeff-Com: -0.360D-01 0.344D+00 0.692D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.360D-01 0.344D+00 0.692D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.01D-04 MaxDP=3.26D-03 DE=-2.35D-04 OVMax= 8.91D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.34D-05    CP:  1.22D+00  1.13D+00  1.02D+00
 E= -387.919670221187     Delta-E=       -0.000038983274 Rises=F Damp=F
 DIIS: error= 5.56D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -387.919670221187     IErMin= 4 ErrMin= 5.56D-05
 ErrMax= 5.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-06 BMatP= 3.84D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.286D-02-0.227D-01 0.126D+00 0.900D+00
 Coeff:     -0.286D-02-0.227D-01 0.126D+00 0.900D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=6.14D-05 MaxDP=1.93D-03 DE=-3.90D-05 OVMax= 5.10D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.18D-05    CP:  1.22D+00  1.13D+00  1.07D+00  9.19D-01
 E= -387.919672520504     Delta-E=       -0.000002299317 Rises=F Damp=F
 DIIS: error= 2.26D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -387.919672520504     IErMin= 5 ErrMin= 2.26D-05
 ErrMax= 2.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.24D-07 BMatP= 1.90D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.710D-03-0.270D-01 0.626D-02 0.359D+00 0.661D+00
 Coeff:      0.710D-03-0.270D-01 0.626D-02 0.359D+00 0.661D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.18D-05 MaxDP=3.93D-04 DE=-2.30D-06 OVMax= 3.03D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.44D-06    CP:  1.22D+00  1.13D+00  1.07D+00  9.66D-01  8.78D-01
 E= -387.919672934989     Delta-E=       -0.000000414485 Rises=F Damp=F
 DIIS: error= 8.11D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -387.919672934989     IErMin= 6 ErrMin= 8.11D-06
 ErrMax= 8.11D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.28D-08 BMatP= 4.24D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.652D-03-0.102D-01-0.113D-01 0.691D-01 0.302D+00 0.650D+00
 Coeff:      0.652D-03-0.102D-01-0.113D-01 0.691D-01 0.302D+00 0.650D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=4.21D-06 MaxDP=1.06D-04 DE=-4.14D-07 OVMax= 8.37D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.90D-06    CP:  1.22D+00  1.13D+00  1.07D+00  9.65D-01  9.09D-01
                    CP:  8.73D-01
 E= -387.919672991209     Delta-E=       -0.000000056221 Rises=F Damp=F
 DIIS: error= 1.33D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -387.919672991209     IErMin= 7 ErrMin= 1.33D-06
 ErrMax= 1.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.20D-10 BMatP= 5.28D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.494D-04 0.709D-04-0.201D-02-0.900D-02 0.882D-02 0.778D-01
 Coeff-Com:  0.924D+00
 Coeff:      0.494D-04 0.709D-04-0.201D-02-0.900D-02 0.882D-02 0.778D-01
 Coeff:      0.924D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.57D-06 MaxDP=5.10D-05 DE=-5.62D-08 OVMax= 2.84D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.41D-07    CP:  1.22D+00  1.13D+00  1.07D+00  9.64D-01  9.20D-01
                    CP:  9.41D-01  1.09D+00
 E= -387.919672993008     Delta-E=       -0.000000001798 Rises=F Damp=F
 DIIS: error= 5.12D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -387.919672993008     IErMin= 8 ErrMin= 5.12D-07
 ErrMax= 5.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-10 BMatP= 8.20D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.578D-04 0.124D-02 0.507D-03-0.120D-01-0.317D-01-0.528D-01
 Coeff-Com:  0.355D+00 0.740D+00
 Coeff:     -0.578D-04 0.124D-02 0.507D-03-0.120D-01-0.317D-01-0.528D-01
 Coeff:      0.355D+00 0.740D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=4.76D-07 MaxDP=1.26D-05 DE=-1.80D-09 OVMax= 1.06D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.71D-07    CP:  1.22D+00  1.13D+00  1.07D+00  9.63D-01  9.22D-01
                    CP:  9.53D-01  1.17D+00  1.08D+00
 E= -387.919672993464     Delta-E=       -0.000000000456 Rises=F Damp=F
 DIIS: error= 2.38D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -387.919672993464     IErMin= 9 ErrMin= 2.38D-07
 ErrMax= 2.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-11 BMatP= 2.58D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-04 0.191D-03 0.237D-03-0.111D-02-0.467D-02-0.169D-01
 Coeff-Com: -0.365D-01 0.108D+00 0.951D+00
 Coeff:     -0.142D-04 0.191D-03 0.237D-03-0.111D-02-0.467D-02-0.169D-01
 Coeff:     -0.365D-01 0.108D+00 0.951D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.31D-07 MaxDP=3.65D-06 DE=-4.56D-10 OVMax= 6.37D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.02D-08    CP:  1.22D+00  1.13D+00  1.07D+00  9.63D-01  9.23D-01
                    CP:  9.56D-01  1.19D+00  1.16D+00  1.14D+00
 E= -387.919672993525     Delta-E=       -0.000000000062 Rises=F Damp=F
 DIIS: error= 1.20D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -387.919672993525     IErMin=10 ErrMin= 1.20D-07
 ErrMax= 1.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.02D-12 BMatP= 1.82D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.788D-05-0.203D-03-0.472D-04 0.210D-02 0.565D-02 0.651D-02
 Coeff-Com: -0.803D-01-0.122D+00 0.227D+00 0.961D+00
 Coeff:      0.788D-05-0.203D-03-0.472D-04 0.210D-02 0.565D-02 0.651D-02
 Coeff:     -0.803D-01-0.122D+00 0.227D+00 0.961D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=6.98D-08 MaxDP=1.79D-06 DE=-6.16D-11 OVMax= 3.41D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.10D-08    CP:  1.22D+00  1.13D+00  1.07D+00  9.63D-01  9.23D-01
                    CP:  9.56D-01  1.19D+00  1.21D+00  1.26D+00  1.11D+00
 E= -387.919672993507     Delta-E=        0.000000000019 Rises=F Damp=F
 DIIS: error= 3.69D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -387.919672993525     IErMin=11 ErrMin= 3.69D-08
 ErrMax= 3.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.39D-13 BMatP= 4.02D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.405D-05-0.781D-04-0.400D-04 0.676D-03 0.206D-02 0.410D-02
 Coeff-Com: -0.147D-01-0.427D-01-0.792D-01 0.214D+00 0.916D+00
 Coeff:      0.405D-05-0.781D-04-0.400D-04 0.676D-03 0.206D-02 0.410D-02
 Coeff:     -0.147D-01-0.427D-01-0.792D-01 0.214D+00 0.916D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.32D-08 MaxDP=4.12D-07 DE= 1.85D-11 OVMax= 1.28D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.56D-08    CP:  1.22D+00  1.13D+00  1.07D+00  9.63D-01  9.23D-01
                    CP:  9.56D-01  1.19D+00  1.21D+00  1.28D+00  1.24D+00
                    CP:  1.25D+00
 E= -387.919672993538     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 2.09D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -387.919672993538     IErMin=12 ErrMin= 2.09D-08
 ErrMax= 2.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-13 BMatP= 5.39D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.235D-06 0.503D-05-0.548D-05-0.104D-03-0.226D-03 0.437D-03
 Coeff-Com:  0.826D-02 0.626D-02-0.692D-01-0.947D-01 0.326D+00 0.823D+00
 Coeff:      0.235D-06 0.503D-05-0.548D-05-0.104D-03-0.226D-03 0.437D-03
 Coeff:      0.826D-02 0.626D-02-0.692D-01-0.947D-01 0.326D+00 0.823D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=9.73D-09 MaxDP=2.13D-07 DE=-3.15D-11 OVMax= 4.49D-07

 SCF Done:  E(RwB97XD) =  -387.919672994     A.U. after   12 cycles
            NFock= 12  Conv=0.97D-08     -V/T= 2.0123
 KE= 3.832033274475D+02 PE=-1.908024542361D+03 EE= 6.309286913282D+02
 Leave Link  502 at Fri Jul 23 18:19:49 2021, MaxMem= 10737418240 cpu:            1300.9 elap:              81.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   296
 NBasis=   296 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    296 NOA=    36 NOB=    36 NVA=   260 NVB=   260

 **** Warning!!: The largest alpha MO coefficient is  0.64976721D+02

 Leave Link  801 at Fri Jul 23 18:19:49 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6641 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.56D-13 8.33D-09 XBig12= 1.00D+00 4.40D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.56D-13 8.33D-09 XBig12= 1.94D-01 7.74D-02.
     11 vectors produced by pass  2 Test12= 1.56D-13 8.33D-09 XBig12= 3.63D-02 7.53D-02.
     11 vectors produced by pass  3 Test12= 1.56D-13 8.33D-09 XBig12= 3.01D-03 1.86D-02.
     11 vectors produced by pass  4 Test12= 1.56D-13 8.33D-09 XBig12= 4.00D-04 5.43D-03.
     11 vectors produced by pass  5 Test12= 1.56D-13 8.33D-09 XBig12= 2.01D-05 8.74D-04.
     11 vectors produced by pass  6 Test12= 1.56D-13 8.33D-09 XBig12= 5.37D-07 1.49D-04.
     11 vectors produced by pass  7 Test12= 1.56D-13 8.33D-09 XBig12= 1.42D-08 2.33D-05.
     11 vectors produced by pass  8 Test12= 1.56D-13 8.33D-09 XBig12= 3.76D-10 4.68D-06.
     11 vectors produced by pass  9 Test12= 1.56D-13 8.33D-09 XBig12= 8.57D-12 6.68D-07.
      7 vectors produced by pass 10 Test12= 1.56D-13 8.33D-09 XBig12= 1.58D-13 7.39D-08.
      2 vectors produced by pass 11 Test12= 1.56D-13 8.33D-09 XBig12= 1.09D-14 1.32D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.75D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.143150D+03
      2  0.169455D+01  0.121872D+03
      3 -0.241088D+01  0.526769D+01  0.816541D+02
 Isotropic polarizability for W=    0.085645      115.56 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.809745D+02 -0.120419D+02  0.854299D+01
      2   0.368084D+02  0.456591D+01 -0.561062D+01
      3   0.441661D+02  0.747601D+01 -0.293237D+01
      4  -0.205293D+02 -0.370771D+02 -0.305362D+02
      5   0.210714D+02 -0.308473D+02  0.370144D+02
      6  -0.136081D+02  0.635031D+01 -0.195222D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.265290D+01 -0.208877D+01  0.242593D+01
      2   0.985636D+01 -0.143456D+02  0.133304D+02
      3   0.140102D+01  0.332212D+02  0.117910D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.311108D+00  0.119609D+02  0.942823D+01
      2  -0.125284D+02 -0.169281D+02 -0.715173D+01
      3  -0.848742D+01  0.738855D+02  0.172392D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.135512D+01 -0.201283D+01 -0.839134D+00
      2  -0.201283D+01  0.298991D+01 -0.329617D+01
      3  -0.839134D+00 -0.329617D+01 -0.153658D+01
 OR G Eigenvalues:    -4.3039    -0.6419     5.0440  Iso=    -0.0327
 Eigenvectors:
   (1)   0.521776   0.466701   0.714101
   (2)   0.823315  -0.056292  -0.564786
   (3)  -0.223388   0.882622  -0.413614
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0327 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =      -11.74 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   43956 ScalPx= 5.13D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.51D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.60D-14 2.78D-09 XBig12= 1.00D+00 3.09D-01.
     30 vectors produced by pass  1 Test12= 2.60D-14 2.78D-09 XBig12= 4.00D-02 4.66D-02.
     30 vectors produced by pass  2 Test12= 2.60D-14 2.78D-09 XBig12= 1.66D-03 7.33D-03.
     30 vectors produced by pass  3 Test12= 2.60D-14 2.78D-09 XBig12= 2.52D-05 9.37D-04.
     30 vectors produced by pass  4 Test12= 2.60D-14 2.78D-09 XBig12= 4.53D-07 1.28D-04.
     30 vectors produced by pass  5 Test12= 2.60D-14 2.78D-09 XBig12= 5.92D-09 1.05D-05.
     30 vectors produced by pass  6 Test12= 2.60D-14 2.78D-09 XBig12= 5.24D-11 1.16D-06.
     30 vectors produced by pass  7 Test12= 2.60D-14 2.78D-09 XBig12= 4.50D-13 1.01D-07.
     13 vectors produced by pass  8 Test12= 2.60D-14 2.78D-09 XBig12= 4.63D-15 5.69D-09.
      3 vectors produced by pass  9 Test12= 2.60D-14 2.78D-09 XBig12= 2.63D-15 8.37D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   256 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 1.19D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 1.19D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.13D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143150D+03  0.169455D+01 -0.241088D+01
      2   0.169455D+01  0.121872D+03  0.526769D+01
      3  -0.241088D+01  0.526769D+01  0.816541D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.265290D+01 -0.208877D+01  0.242593D+01
      2   0.985636D+01 -0.143456D+02  0.133304D+02
      3   0.140102D+01  0.332212D+02  0.117910D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.809745D+02 -0.120419D+02  0.854299D+01
      2   0.368084D+02  0.456591D+01 -0.561062D+01
      3   0.441661D+02  0.747601D+01 -0.293237D+01
      4  -0.205293D+02 -0.370771D+02 -0.305362D+02
      5   0.210714D+02 -0.308473D+02  0.370144D+02
      6  -0.136081D+02  0.635031D+01 -0.195222D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.126196D+01 -0.153876D+01 -0.611471D+00 -0.453922D+01  0.258985D+00
      2  -0.153876D+01 -0.247623D+01 -0.733345D+00  0.258985D+00 -0.227101D+01
      3  -0.611471D+00 -0.733345D+00 -0.178768D+01  0.112498D+01  0.860576D+00
                 6             7             8             9            10 
      1   0.112498D+01 -0.165835D+01  0.669081D+00 -0.383220D+01 -0.468893D+01
      2   0.860576D+00  0.669081D+00  0.127841D+01 -0.308307D+01  0.131489D+01
      3  -0.141741D+01 -0.383220D+01 -0.308307D+01 -0.670956D+00 -0.407215D+00
                11            12            13            14            15 
      1   0.131489D+01 -0.407215D+00  0.215964D+01  0.165146D+01  0.122194D+01
      2  -0.255309D+01 -0.125502D+00  0.165146D+01  0.184680D+01 -0.564689D+00
      3  -0.125502D+00 -0.199334D+01  0.122194D+01 -0.564689D+00  0.330503D+00
                16            17            18            19            20 
      1   0.876728D-01  0.143199D+01 -0.493057D+01 -0.972224D+00  0.381037D+01
      2   0.143199D+01  0.272399D+00  0.111964D+01  0.381037D+01  0.120307D+01
      3  -0.493057D+01  0.111964D+01  0.145701D+01  0.498927D+00 -0.232374D+00
                21            22            23            24            25 
      1   0.498927D+00 -0.506083D+01  0.852214D+00 -0.614952D-01 -0.711252D+00
      2  -0.232374D+00  0.852214D+00 -0.218303D+01  0.951393D+00 -0.101747D+01
      3   0.379579D+00 -0.614952D-01  0.951393D+00 -0.143272D+01 -0.239748D+00
                26            27            28            29            30 
      1  -0.101747D+01 -0.239748D+00  0.134034D+02 -0.407315D+01 -0.332858D+00
      2   0.119725D+01 -0.357900D+01 -0.407315D+01  0.442948D+01  0.233986D+00
      3  -0.357900D+01 -0.255472D+01 -0.332858D+00  0.233986D+00  0.145723D+01
                31            32            33            34            35 
      1  -0.848207D+01 -0.198205D+01 -0.573013D+00 -0.211616D+01 -0.116217D+01
      2  -0.198205D+01 -0.394795D+00  0.374586D-01 -0.116217D+01 -0.529367D+00
      3  -0.573013D+00  0.374586D-01 -0.180001D+00  0.327201D+01 -0.155772D+01
                36            37            38            39            40 
      1   0.327201D+01  0.294919D+01  0.389370D+01  0.740790D+00  0.122412D+02
      2  -0.155772D+01  0.389370D+01  0.635427D+01  0.134951D+01  0.306443D+01
      3  -0.147567D+01  0.740790D+00  0.134951D+01  0.134213D+01  0.665230D-01
                41            42            43            44            45 
      1   0.306443D+01  0.665230D-01  0.294668D+01  0.277213D+00  0.224042D+01
      2   0.475161D+01 -0.386890D+00  0.277213D+00 -0.115099D+01  0.239608D+01
      3  -0.386890D+00  0.929027D+00  0.224042D+01  0.239608D+01  0.409299D+00
                46            47            48            49            50 
      1   0.123092D+01 -0.331718D+01 -0.431832D+00  0.473656D+01 -0.565308D+00
      2  -0.331718D+01 -0.278260D+01  0.427678D+00 -0.565308D+00  0.137326D+01
      3  -0.431832D+00  0.427678D+00 -0.102488D-02  0.158309D+00 -0.751066D+00
                51            52            53            54            55 
      1   0.158309D+00  0.367010D+00  0.102734D+01 -0.180386D+01 -0.288184D+01
      2  -0.751066D+00  0.102734D+01 -0.768233D+00  0.351249D+01  0.268359D+01
      3   0.143816D+01 -0.180386D+01  0.351249D+01  0.236103D+01 -0.894289D-01
                56            57            58            59            60 
      1   0.268359D+01 -0.894289D-01  0.411681D+01 -0.403527D+01  0.557684D+00
      2  -0.289179D+01  0.591700D+00 -0.403527D+01 -0.174287D+01  0.163308D+01
      3   0.591700D+00 -0.203095D+01  0.557684D+00  0.163308D+01  0.318036D+01
                61            62            63            64            65 
      1  -0.189110D+01  0.105052D+01 -0.429449D+01 -0.590623D+01 -0.190579D+01
      2   0.105052D+01  0.848062D+00  0.416531D+01 -0.190579D+01  0.166736D+01
      3  -0.429449D+01  0.416531D+01  0.167070D+01 -0.228832D+01  0.189722D+00
                66            67            68            69            70 
      1  -0.228832D+01 -0.183856D+01  0.161984D+01  0.349454D+00 -0.373336D+01
      2   0.189722D+00  0.161984D+01  0.291226D+01 -0.131478D+01  0.116058D-02
      3   0.487438D+00  0.349454D+00 -0.131478D+01 -0.143375D+01 -0.328797D+00
                71            72            73            74            75 
      1   0.116058D-02 -0.328797D+00 -0.202948D+01 -0.325862D+00 -0.235438D+00
      2  -0.359077D+00 -0.213494D+01 -0.325862D+00 -0.193707D+01 -0.172056D+01
      3  -0.213494D+01  0.544792D+01 -0.235438D+00 -0.172056D+01 -0.161543D+01
                76            77            78            79            80 
      1  -0.816166D+00 -0.350820D+01 -0.128781D+01 -0.176146D+01 -0.262739D+01
      2  -0.350820D+01 -0.747060D+01  0.163007D+01 -0.262739D+01  0.163146D+01
      3  -0.128781D+01  0.163007D+01 -0.107339D+01 -0.319967D+01 -0.296915D+01
                81            82            83            84            85 
      1  -0.319967D+01 -0.716523D+01 -0.440281D+01 -0.387239D+00 -0.430345D+01
      2  -0.296915D+01 -0.440281D+01 -0.336998D+01 -0.215567D+00 -0.423876D+01
      3  -0.423633D+01 -0.387239D+00 -0.215567D+00 -0.706013D+00 -0.647067D+00
                86            87            88            89            90 
      1  -0.423876D+01 -0.647067D+00 -0.262190D+00 -0.476975D+00 -0.400717D-01
      2  -0.487855D+01 -0.578915D+00 -0.476975D+00 -0.798429D+00 -0.959150D-01
      3  -0.578915D+00 -0.708237D+00 -0.400717D-01 -0.959150D-01 -0.961468D-01
                91            92            93            94            95 
      1  -0.123084D+02  0.234983D+01  0.150984D+01  0.239485D+01 -0.201558D+01
      2   0.234983D+01 -0.120458D+01 -0.268321D+00 -0.201558D+01  0.102798D+01
      3   0.150984D+01 -0.268321D+00 -0.109966D+01 -0.624121D+00  0.325256D+00
                96            97            98            99           100 
      1  -0.624121D+00  0.166615D+01 -0.631159D+00 -0.215402D+00  0.541333D+00
      2   0.325256D+00 -0.631159D+00  0.280932D+00  0.101229D+00 -0.135320D+01
      3   0.349192D+00 -0.215402D+00  0.101229D+00  0.223214D+00 -0.314493D+00
               101           102           103           104           105 
      1  -0.135320D+01 -0.314493D+00 -0.988169D+00  0.735962D+00  0.139893D+00
      2   0.125627D+01  0.411959D+00  0.735962D+00 -0.963286D+01 -0.211737D+01
      3   0.411959D+00  0.258945D+00  0.139893D+00 -0.211737D+01 -0.139452D+01
               106           107           108           109           110 
      1  -0.318886D+00  0.412158D+00  0.526556D-02 -0.136284D+01  0.186539D+01
      2   0.412158D+00 -0.228965D+01 -0.539293D+00  0.186539D+01 -0.185007D+01
      3   0.526556D-02 -0.539293D+00 -0.383336D+00  0.484878D+00 -0.489884D+00
               111           112           113           114           115 
      1   0.484878D+00  0.171900D+01 -0.278489D+01 -0.621286D+00  0.444267D+00
      2  -0.489884D+00 -0.278489D+01  0.948469D+01  0.196172D+01 -0.751250D+00
      3  -0.377535D+00 -0.621286D+00  0.196172D+01  0.134409D+01 -0.236448D+00
               116           117           118           119           120 
      1  -0.751250D+00 -0.236448D+00  0.193091D+01 -0.138777D+01 -0.141300D+01
      2   0.203466D+01  0.489228D+00 -0.138777D+01  0.108624D+01  0.419695D+00
      3   0.489228D+00  0.353854D+00 -0.141300D+01  0.419695D+00  0.138001D+01
               121           122           123           124           125 
      1  -0.300828D+01  0.221966D+01  0.927868D+00 -0.245671D+01  0.118647D+01
      2   0.221966D+01 -0.304592D+01 -0.215997D+01  0.118647D+01 -0.237381D+01
      3   0.927868D+00 -0.215997D+01 -0.280817D+01  0.253677D+01 -0.283384D+01
               126           127           128           129           130 
      1   0.253677D+01 -0.799825D+01  0.163435D+01  0.643171D+00 -0.123840D+01
      2  -0.283384D+01  0.163435D+01  0.270108D+01 -0.109535D+01  0.303699D+01
      3  -0.533361D+01  0.643171D+00 -0.109535D+01  0.196486D+01 -0.132754D+01
               131           132           133           134           135 
      1   0.303699D+01 -0.132754D+01  0.506420D+01 -0.236147D+01  0.298404D+01
      2   0.331846D+01 -0.133670D+01 -0.236147D+01 -0.146667D+00 -0.352876D+01
      3  -0.133670D+01 -0.305992D+01  0.298404D+01 -0.352876D+01 -0.156197D+01
               136           137           138           139           140 
      1   0.109672D+01  0.546995D+00 -0.928451D+00  0.565909D+00  0.344050D+00
      2   0.546995D+00 -0.156402D+00 -0.195309D+00  0.344050D+00  0.824064D+00
      3  -0.928451D+00 -0.195309D+00  0.217367D+00 -0.485392D+00 -0.124527D+01
               141           142           143           144           145 
      1  -0.485392D+00 -0.159332D+01 -0.612698D+00  0.217566D+01  0.106181D+02
      2  -0.124527D+01 -0.612698D+00 -0.186495D+01  0.235602D+01  0.201113D+01
      3   0.159095D+01  0.217566D+01  0.235602D+01 -0.843144D+01  0.926915D+00
               146           147           148           149           150 
      1   0.201113D+01  0.926915D+00  0.138069D+01  0.130571D+01  0.177399D-01
      2   0.142791D+01 -0.462227D-01  0.130571D+01  0.490166D+00  0.313308D+00
      3  -0.462227D-01  0.119911D+01  0.177399D-01  0.313308D+00  0.307063D+00
               151           152           153           154           155 
      1   0.308623D+01  0.512011D+00  0.144120D+01 -0.123328D+00  0.856328D+00
      2   0.512011D+00  0.696038D+00  0.499577D+00  0.856328D+00 -0.744970D+00
      3   0.144120D+01  0.499577D+00  0.878044D-01 -0.370522D+00  0.201018D+00
               156           157           158           159           160 
      1  -0.370522D+00  0.193601D+01  0.184267D+01 -0.176324D+00 -0.492815D+00
      2   0.201018D+00  0.184267D+01  0.104525D+02 -0.188668D+01 -0.154928D+00
      3   0.122491D+00 -0.176324D+00 -0.188668D+01  0.134142D+01  0.714629D+00
               161           162           163           164           165 
      1  -0.154928D+00  0.714629D+00  0.221500D+01  0.102847D+01  0.150081D+01
      2  -0.335980D+01  0.209957D+01  0.102847D+01  0.851272D+00  0.809377D+00
      3   0.209957D+01 -0.721165D+00  0.150081D+01  0.809377D+00  0.141154D+01
               166           167           168           169           170 
      1   0.731712D+00  0.159050D+01  0.684535D+00  0.393097D+01  0.248405D+01
      2   0.159050D+01  0.279561D+01  0.141846D+01  0.248405D+01  0.319432D+01
      3   0.684535D+00  0.141846D+01  0.118608D+01  0.277680D+01  0.331357D+01
               171           172           173           174           175 
      1   0.277680D+01  0.428219D+00  0.265605D+00  0.571249D+00  0.107126D+01
      2   0.331357D+01  0.265605D+00 -0.591088D+00  0.109080D+00 -0.433887D+00
      3   0.659609D+01  0.571249D+00  0.109080D+00 -0.940736D+00  0.486795D+00
               176           177           178           179           180 
      1  -0.433887D+00  0.486795D+00  0.101495D+01  0.280755D-01  0.397667D+00
      2   0.106769D+01  0.108108D+01  0.280755D-01  0.145038D+01  0.113107D+01
      3   0.108108D+01  0.270472D+01  0.397667D+00  0.113107D+01  0.591230D+01
               181           182           183           184           185 
      1   0.125641D+02 -0.299609D+01  0.903696D+00 -0.127731D+01  0.132096D+01
      2  -0.299609D+01  0.174728D+01 -0.388350D+00  0.132096D+01 -0.117438D+01
      3   0.903696D+00 -0.388350D+00  0.131136D+01  0.788875D-01  0.196574D+00
               186           187           188           189           190 
      1   0.788875D-01 -0.130493D+01  0.458412D+00  0.876684D+00 -0.279122D+00
      2   0.196574D+00  0.458412D+00 -0.388917D+00  0.811659D-01 -0.960038D+00
      3   0.161174D+00  0.876684D+00  0.811659D-01 -0.209627D-01  0.300003D-01
               191           192           193           194           195 
      1  -0.960038D+00  0.300003D-01 -0.150123D+01 -0.279483D+00 -0.105578D-01
      2  -0.216636D+01  0.767072D+00 -0.279483D+00 -0.755106D+01  0.193336D+01
      3   0.767072D+00 -0.979690D+00 -0.105578D-01  0.193336D+01 -0.135462D+01
               196           197           198 
      1  -0.307585D+00  0.257034D+00 -0.299905D+00
      2   0.257034D+00  0.114596D+01 -0.943269D+00
      3  -0.299905D+00 -0.943269D+00  0.967086D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.181520D+01  0.590942D+00 -0.261506D+01  0.258001D+01 -0.631787D+00
      2   0.218651D+01  0.160402D+01  0.388182D+01 -0.247345D+01 -0.233578D+01
      3  -0.720951D+01 -0.995485D+01 -0.116111D+01  0.836289D+01 -0.335524D+01
                 6             7             8             9            10 
      1  -0.862114D+00 -0.775065D+01  0.510877D+01  0.193933D+01  0.617469D+00
      2   0.407961D+01 -0.458941D+00  0.107214D+02  0.302409D+01 -0.982597D+00
      3   0.944478D+00  0.275328D+01  0.328615D+01 -0.482842D+01  0.520336D+01
                11            12            13            14            15 
      1   0.621721D+00  0.123003D+01  0.542378D-01 -0.253473D+01  0.841703D+00
      2   0.115860D+00  0.569929D+01 -0.382017D+01  0.342877D+00 -0.129455D+01
      3  -0.798267D+01 -0.499985D+00  0.108734D+02  0.400068D+01 -0.144665D+01
                16            17            18            19            20 
      1   0.414446D+01  0.108748D+02  0.206313D+01  0.838527D+00 -0.110038D+01
      2   0.731686D+01 -0.505913D+01 -0.370918D+01 -0.474730D+01  0.306935D+01
      3   0.343184D+01 -0.139416D+01  0.232730D+01  0.944882D+01 -0.702139D+01
                21            22            23            24            25 
      1   0.162269D+01 -0.639464D+00  0.933092D+00 -0.279934D+01  0.333242D+01
      2  -0.442887D+00  0.156414D+01  0.652999D+00  0.209922D+01 -0.135886D+02
      3  -0.341643D+01  0.588671D+01 -0.755025D+01  0.221261D-01 -0.345767D+01
                26            27            28            29            30 
      1  -0.558940D-01 -0.993495D+00  0.290686D+00  0.228918D+00  0.159307D+01
      2   0.311474D+01  0.361944D+01  0.239634D+01 -0.348650D+01 -0.214149D+01
      3   0.115200D+01 -0.548852D+01 -0.507948D+01  0.121603D+02  0.188432D+01
                31            32            33            34            35 
      1   0.246164D+00 -0.322254D+01 -0.878280D+00  0.401199D+01  0.965790D+01
      2  -0.161711D+01  0.765181D+00  0.289808D+00 -0.138437D+02 -0.507257D+00
      3   0.111353D+02 -0.929141D+01  0.135825D+01 -0.578731D+00 -0.167045D+01
                36            37            38            39            40 
      1   0.499156D+00 -0.189466D+01 -0.435491D+00 -0.917320D+00  0.730158D+00
      2   0.735076D+00 -0.341955D+00  0.699805D-01 -0.140710D+01  0.364406D+01
      3  -0.258552D+01 -0.275956D+01  0.911436D+01  0.247351D+01  0.122184D+02
                41            42            43            44            45 
      1  -0.643527D+00 -0.628016D+00 -0.447435D+01  0.761797D+01  0.181099D+01
      2  -0.273517D+01 -0.158434D+01 -0.135551D+02 -0.936497D+00  0.586050D+00
      3   0.179627D+02  0.122023D+01 -0.505548D+00  0.294046D+01  0.490787D+01
                46            47            48            49            50 
      1   0.663779D+00 -0.102677D+01 -0.572097D+00 -0.676547D+00 -0.453143D-01
      2   0.744117D+00  0.198107D+01  0.319379D+00  0.238736D+01  0.215310D+01
      3  -0.471458D+01 -0.155863D+02 -0.217713D+01  0.261331D+00  0.338776D+01
                51            52            53            54            55 
      1  -0.235591D+01  0.311400D+01  0.513082D+00 -0.822675D+00 -0.169885D+01
      2  -0.384287D+01 -0.106865D+02 -0.864815D+01 -0.362604D+01 -0.839990D-01
      3  -0.132232D+01 -0.203365D+01 -0.197357D+01  0.513475D+01 -0.793760D+00
                56            57            58            59            60 
      1   0.632634D+00 -0.231493D+01  0.184548D+00  0.457530D+01 -0.999156D-01
      2   0.245709D+01 -0.290864D+00  0.336767D+01  0.429755D+00  0.597749D+01
      3  -0.385981D+01  0.914030D+00  0.987209D+01  0.116051D+02 -0.480770D+01
                61            62            63            64            65 
      1  -0.581115D+01  0.708908D+01  0.243397D+00  0.410145D+01 -0.205677D+01
      2  -0.142258D+02  0.893024D+01  0.117186D+01 -0.119933D+02 -0.709599D+00
      3   0.197773D+01 -0.532170D+01 -0.416683D+01  0.519099D+00 -0.107035D+02
                66            67            68            69            70 
      1  -0.555694D+00 -0.938382D+00 -0.242496D+01  0.106257D+01  0.863426D+00
      2   0.127696D+01  0.463763D+00 -0.531090D+00 -0.386280D+01 -0.835264D+01
      3  -0.354014D+01 -0.673915D+01 -0.712887D+01  0.496857D+01 -0.616398D+01
                71            72            73            74            75 
      1   0.543454D+01 -0.423812D+01  0.130585D+01  0.467970D+01  0.323937D+01
      2  -0.641316D+01  0.122312D+02  0.252579D+00 -0.140958D+01  0.204981D+00
      3   0.347340D+01  0.494723D+01 -0.409025D+01 -0.300952D+01  0.118845D+01
                76            77            78            79            80 
      1   0.200250D+01 -0.806470D+01  0.433188D+00  0.962717D+01  0.120439D+02
      2  -0.174827D+01  0.263588D+01  0.103952D+00 -0.776720D+01 -0.241552D+01
      3   0.112220D+02 -0.494001D+00 -0.728952D+01 -0.240095D+00 -0.123789D+02
                81            82            83            84            85 
      1   0.905389D+01  0.247924D+00  0.502348D+00 -0.238301D+01 -0.435138D+00
      2  -0.320661D+01 -0.443353D+00 -0.438211D+00  0.374467D+01  0.923020D+00
      3  -0.533937D+01 -0.169649D+01 -0.538413D+01  0.775877D-01 -0.393529D+01
                86            87            88            89            90 
      1  -0.439010D-01 -0.258537D+01  0.121941D+01  0.126410D+01 -0.165639D+00
      2   0.920979D+00  0.327758D+01 -0.138758D+01 -0.975531D+00  0.124604D+00
      3  -0.882097D+01 -0.718662D+00 -0.950703D+00 -0.154211D+01  0.627251D-01
                91            92            93            94            95 
      1  -0.173691D+00 -0.581725D+00  0.117790D+01 -0.449049D-01  0.183837D+00
      2  -0.178015D+01  0.282576D+00  0.613449D+01  0.153138D+01 -0.725300D+00
      3   0.189530D+01 -0.543821D+01 -0.194775D+00 -0.404234D+01  0.283872D+01
                96            97            98            99           100 
      1  -0.639941D+00 -0.824514D+00  0.491514D+00 -0.124538D+00  0.262119D+00
      2  -0.177919D+01 -0.202092D+01  0.470784D+00 -0.638333D+00  0.719234D+00
      3   0.713386D+00 -0.181203D+01  0.144650D+01  0.129276D+00 -0.379839D+01
               101           102           103           104           105 
      1   0.553332D-01  0.103406D+01 -0.228764D+00  0.833632D+00 -0.465653D+01
      2  -0.944142D+00 -0.104858D+00 -0.126818D+01  0.236185D+01  0.806776D+00
      3   0.393878D+01  0.991874D+00  0.611161D+01 -0.122337D+02 -0.280844D+01
               106           107           108           109           110 
      1  -0.319020D+00  0.215918D+01 -0.695352D+00 -0.194901D+00  0.134235D+00
      2  -0.114393D+01  0.620427D+00  0.453242D-01 -0.392743D+00  0.384421D+00
      3   0.138858D+01 -0.323063D+01 -0.346010D+00  0.889320D+00 -0.867651D+00
               111           112           113           114           115 
      1   0.110426D+01  0.120945D+00  0.632580D+00 -0.458910D+01 -0.361613D+00
      2   0.971002D+00  0.761088D-01 -0.306652D+01 -0.290388D+01 -0.724991D+00
      3  -0.240511D+00  0.696988D+00  0.142689D+02  0.283397D+01 -0.901359D-01
               116           117           118           119           120 
      1   0.193308D+01 -0.709120D+00 -0.776993D+00 -0.568897D+00  0.135327D+01
      2  -0.476094D-01 -0.445900D+00 -0.100881D+01  0.284956D+00  0.259315D+01
      3   0.317143D+01  0.233945D+00  0.136058D+01 -0.304619D+01  0.268879D+00
               121           122           123           124           125 
      1   0.204409D+00  0.590048D+00 -0.257163D+01  0.196915D+01  0.938996D+00
      2  -0.267529D+00 -0.255339D+01 -0.495874D+01  0.119755D+01 -0.394330D+01
      3   0.661695D+00  0.346581D+01  0.371092D+01  0.106127D+01  0.465697D+01
               126           127           128           129           130 
      1  -0.366299D+01  0.286678D+01  0.204923D+01  0.259086D+01 -0.149564D+01
      2  -0.801540D+01  0.108753D+02 -0.604268D+01  0.750684D+01 -0.594221D+01
      3   0.375533D+01  0.894557D+01 -0.130682D+02  0.143206D+01 -0.545008D+01
               131           132           133           134           135 
      1   0.369439D+01 -0.106991D+02  0.261988D+01 -0.581396D+01 -0.617293D+01
      2  -0.537595D+01 -0.711609D+01  0.512536D+01 -0.771776D+01 -0.564815D+01
      3  -0.163943D+02  0.659880D+01 -0.885514D-01  0.670500D+01  0.477806D+01
               136           137           138           139           140 
      1   0.125100D+00  0.667998D+00 -0.525644D-01  0.668115D+00  0.690740D-01
      2  -0.540083D+00 -0.141151D+00  0.874286D+00 -0.368162D+00 -0.255921D+01
      3  -0.677060D+00  0.752622D+00 -0.249865D+00  0.270714D+01 -0.118392D+01
               141           142           143           144           145 
      1  -0.116410D+01 -0.133705D+01  0.211385D+01  0.643515D+01 -0.230667D+01
      2   0.326944D+01  0.724791D+00  0.435877D+01 -0.176196D+02  0.876832D+01
      3   0.249995D+01 -0.923707D+00  0.487351D+01 -0.254934D+01  0.642852D+01
               146           147           148           149           150 
      1  -0.798519D+00 -0.158356D+01 -0.750836D+00 -0.448819D+00 -0.130796D+01
      2   0.117584D+01  0.623959D+01  0.977060D+00  0.158462D+01  0.107450D+01
      3  -0.531781D+01  0.112110D+01 -0.754468D+00  0.222809D+00 -0.129722D+01
               151           152           153           154           155 
      1  -0.159945D+01 -0.887093D-01 -0.784134D+00  0.458294D+00 -0.844089D+00
      2   0.417647D+01  0.142585D+01  0.173676D+01  0.160650D+00  0.599336D+00
      3   0.227162D+01 -0.275551D+01  0.179804D+00 -0.156819D+01  0.334667D+00
               156           157           158           159           160 
      1   0.168779D-01  0.168070D+01  0.584707D+01 -0.571834D+01 -0.184031D+01
      2   0.107042D+01 -0.385491D+00 -0.218169D+01  0.133240D+01  0.184046D+00
      3  -0.139839D+01  0.470392D+01 -0.864852D+01  0.226330D+01 -0.223840D+01
               161           162           163           164           165 
      1  -0.404606D+01  0.240178D+01 -0.306478D+01 -0.995142D+00 -0.326874D+01
      2   0.148203D+01 -0.858471D+00 -0.446529D+00  0.633710D+00  0.226371D+01
      3   0.464843D+01 -0.881717D+00  0.558099D+01 -0.111851D+00  0.222769D+01
               166           167           168           169           170 
      1  -0.120800D+01 -0.165143D+01 -0.303484D+01 -0.628003D+01 -0.464327D+01
      2   0.561819D+00  0.102197D+01  0.144063D+01  0.730931D+00  0.282265D+01
      3  -0.357402D+00 -0.255719D+00  0.134531D-01  0.650182D+01  0.158439D+01
               171           172           173           174           175 
      1  -0.147636D+02  0.130482D+01 -0.144910D+01 -0.126733D+01 -0.579995D+00
      2   0.635746D+01  0.168497D+01 -0.289637D+00 -0.210210D+01 -0.102602D+01
      3   0.209833D+01 -0.100210D+01  0.822287D+00 -0.695188D+00  0.110301D+01
               176           177           178           179           180 
      1   0.495297D+01  0.451152D+01 -0.113734D+00  0.642247D+01  0.101638D+02
      2   0.342855D+01  0.634846D+01 -0.299767D+01  0.354060D+01  0.137320D+02
      3  -0.279682D+01 -0.334728D+01 -0.766885D+00 -0.408701D+01 -0.358871D+01
               181           182           183           184           185 
      1   0.635578D-01  0.107156D+01  0.241122D+01  0.863858D+00 -0.541857D+00
      2  -0.755857D+01  0.879272D+00  0.596653D+01  0.130274D+01 -0.105499D+00
      3  -0.129158D+02 -0.343965D+01 -0.141684D+00  0.775375D-01  0.163746D+01
               186           187           188           189           190 
      1  -0.261712D+00  0.113604D+01  0.987531D+00  0.917150D-01 -0.122061D+01
      2   0.148359D+00  0.128268D+01  0.419174D+00 -0.701508D+00  0.132646D+01
      3  -0.486316D+00  0.450731D+00 -0.754038D-01 -0.182369D+01  0.518392D+01
               191           192           193           194           195 
      1  -0.137775D+01 -0.184332D+01 -0.113314D+01 -0.469135D+01 -0.282529D+01
      2   0.255694D+01 -0.142930D+01  0.211747D+01  0.587182D+01 -0.290578D+01
      3   0.672912D+01 -0.149706D+01  0.697136D+01  0.196139D+02 -0.482739D+01
               196           197           198 
      1  -0.476354D+00  0.936712D+00  0.106302D+01
      2  -0.157178D+01 -0.209297D+01  0.230935D+01
      3   0.132207D-01 -0.350874D+01  0.304352D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.353855D+01 -0.203745D+02 -0.321035D+01  0.282123D+02  0.169305D+01
      2  -0.733545D+00  0.149878D+02 -0.244882D+00 -0.261862D+02 -0.496179D+01
      3   0.427210D+01  0.538671D+01  0.345523D+01 -0.202617D+01  0.326874D+01
      4  -0.193286D+02  0.117478D+02  0.522398D+01  0.290091D+01 -0.151154D+02
      5   0.117523D+01  0.345646D+01  0.882698D+01 -0.659798D+01 -0.754961D+01
      6   0.259313D+01  0.327727D+01  0.630667D+01 -0.765876D+01 -0.430481D+01
                 6             7             8             9            10 
      1  -0.138876D+01  0.116306D+02  0.386999D+01  0.675797D+01 -0.957101D+01
      2   0.219954D+01 -0.125015D+02 -0.585776D+01 -0.107275D+02  0.658711D+01
      3  -0.810783D+00  0.870850D+00  0.198778D+01  0.396953D+01  0.298390D+01
      4  -0.964096D+01 -0.877970D+00 -0.101314D+02  0.133708D+02  0.587506D+01
      5   0.841833D+01  0.257906D+02  0.158510D+02  0.613198D+01  0.626475D+01
      6   0.259969D+01  0.865774D+01  0.108411D+02 -0.295789D+01  0.780046D+00
                11            12            13            14            15 
      1   0.487075D+01  0.648586D+01 -0.218693D+02 -0.195954D+02 -0.634609D+01
      2  -0.267890D+01 -0.297182D+01  0.183136D+02  0.179568D+02  0.741055D+01
      3  -0.219185D+01 -0.351404D+01  0.355564D+01  0.163862D+01 -0.106447D+01
      4   0.221259D+02  0.668866D+00 -0.199142D+02  0.134440D+02  0.776060D+01
      5   0.326567D+00  0.124360D+02 -0.111716D+02  0.506009D+01 -0.253870D+01
      6  -0.335931D+00 -0.280914D+01  0.653541D+01  0.355297D+01 -0.144621D+01
                16            17            18            19            20 
      1   0.399388D+01 -0.935932D+01  0.134522D+02  0.116378D+02  0.498621D+01
      2   0.226810D+01  0.692807D+01 -0.178375D+02 -0.957610D+01 -0.747711D+01
      3  -0.626198D+01  0.243125D+01  0.438529D+01 -0.206175D+01  0.249090D+01
      4  -0.134554D+02  0.384998D+01 -0.370040D+01  0.103585D+02 -0.226024D+02
      5   0.335702D+02 -0.591513D+01 -0.768062D+01 -0.965216D+00 -0.227170D+01
      6  -0.193405D+01  0.519248D+01 -0.291917D+01 -0.176464D+01  0.106460D+01
                21            22            23            24            25 
      1  -0.136342D+01  0.715361D+01  0.997096D+01  0.551401D+01 -0.188904D+01
      2   0.885895D+00 -0.254237D+00 -0.146898D+02 -0.791574D+01  0.229189D+01
      3   0.477525D+00 -0.689937D+01  0.471884D+01  0.240174D+01 -0.402854D+00
      4  -0.441299D+01  0.165583D+02  0.983341D+01 -0.143820D+00  0.114714D+01
      5  -0.359925D+01  0.643142D+00  0.470512D+00  0.259240D+01  0.172165D+01
      6  -0.317384D+01  0.262487D+01 -0.120251D+02  0.358055D+01  0.509225D-01
                26            27            28            29            30 
      1   0.442373D+01 -0.147134D+02 -0.223446D+02  0.866648D+01  0.245151D+01
      2  -0.112848D+02  0.216610D+01  0.129991D+02 -0.481066D+01 -0.254113D+00
      3   0.686105D+01  0.125473D+02  0.934546D+01 -0.385582D+01 -0.219740D+01
      4   0.292913D+01  0.925611D+01 -0.113274D+02  0.948392D+01  0.568054D+00
      5   0.814729D+01  0.755441D+01  0.400050D+01 -0.137212D+01 -0.150788D+01
      6   0.154764D+02  0.612384D+01 -0.273573D+01 -0.364545D+00 -0.230415D+01
                31            32            33            34            35 
      1  -0.384465D+01 -0.376535D+01  0.928145D-01  0.684243D+01 -0.120239D+01
      2   0.890370D+01  0.890372D+01  0.201818D+01 -0.159954D+00  0.337740D+00
      3  -0.505904D+01 -0.513837D+01 -0.211100D+01 -0.668248D+01  0.864653D+00
      4  -0.676852D+01  0.961903D+01  0.163538D+01 -0.422378D+01  0.139065D+01
      5  -0.259085D+01  0.125413D+00 -0.566953D+00  0.350915D+01 -0.831949D+00
      6   0.603418D+01  0.248653D+01  0.151207D+01 -0.170616D+01  0.560258D+01
                36            37            38            39            40 
      1  -0.980598D+01 -0.175491D+02 -0.250367D+02 -0.486116D+01 -0.596697D+01
      2  -0.355706D+01  0.132833D+02  0.189716D+02  0.295582D+01 -0.364335D+01
      3   0.133630D+02  0.426577D+01  0.606508D+01  0.190534D+01  0.961032D+01
      4  -0.332602D+01 -0.560603D+01 -0.283245D+01  0.202254D+01  0.502107D+01
      5   0.807483D+00 -0.878934D+00  0.228788D+01 -0.789634D+00  0.423875D+01
      6  -0.122345D+01  0.617446D+01  0.411271D+01  0.198253D+01 -0.671726D+01
                41            42            43            44            45 
      1  -0.732672D+01  0.287641D+01 -0.252617D+00  0.633688D+01 -0.103738D+02
      2   0.734146D+01  0.232029D+00 -0.172809D+01 -0.461465D+01  0.405793D+00
      3  -0.147385D-01 -0.310844D+01  0.198071D+01 -0.172224D+01  0.996800D+01
      4  -0.779068D+01 -0.252560D+01  0.218870D+01 -0.103506D+01 -0.106338D+01
      5  -0.201732D+01 -0.188608D+01  0.393557D+01 -0.248183D+01  0.109256D+01
      6  -0.516247D+00  0.248940D+01  0.136665D+01  0.785555D+01 -0.200304D+01
                46            47            48            49            50 
      1   0.166527D+02  0.176165D+02 -0.327067D+00 -0.174999D+02  0.138897D+02
      2  -0.152052D+02 -0.129966D+02 -0.707303D+00  0.139758D+02 -0.187979D+02
      3  -0.144746D+01 -0.461997D+01  0.103437D+01  0.352407D+01  0.490816D+01
      4   0.651786D+01 -0.162224D+02 -0.614457D+01  0.117796D+02 -0.282991D+01
      5   0.359322D+01 -0.515214D+01 -0.245145D+01  0.131412D+01  0.401515D+01
      6  -0.705844D+01  0.149880D+01 -0.181327D-01  0.317111D+01 -0.107553D+02
                51            52            53            54            55 
      1   0.426604D+01 -0.555546D+01 -0.110419D+01 -0.731371D+01  0.187658D+02
      2  -0.655512D+01  0.748342D+01 -0.760223D+01 -0.296312D+01 -0.928536D+01
      3   0.228908D+01 -0.192796D+01  0.870642D+01  0.102768D+02 -0.948045D+01
      4   0.406631D+01 -0.249148D+01  0.100210D+02 -0.145190D+02  0.921432D+01
      5  -0.693108D+01  0.835745D+01 -0.136860D+02 -0.758662D+01 -0.155432D+01
      6   0.335975D+01 -0.547355D+01  0.138364D+02  0.348739D+01  0.265117D+01
                56            57            58            59            60 
      1  -0.503213D+01  0.261579D+01 -0.406872D+01 -0.510841D+01  0.382465D+01
      2   0.257336D+01 -0.143928D+01 -0.299991D+00  0.443988D+01 -0.311105D+01
      3   0.245877D+01 -0.117651D+01  0.436871D+01  0.668531D+00 -0.713604D+00
      4  -0.108196D+02  0.240290D+01 -0.217251D+02 -0.609853D+01  0.569783D+01
      5   0.290335D+01 -0.890574D+01  0.438544D+01  0.724517D+01  0.141619D+02
      6  -0.869981D+00  0.681336D+01  0.266599D+01 -0.372594D+01 -0.119299D+02
                61            62            63            64            65 
      1  -0.452817D+01  0.556896D+01  0.218564D+01 -0.320927D+02 -0.117227D+02
      2  -0.615182D+00  0.248927D+00 -0.121164D+01  0.986041D+01  0.874058D+01
      3   0.514335D+01 -0.581788D+01 -0.973999D+00  0.222323D+02  0.298208D+01
      4   0.929681D+01  0.263242D+00  0.213939D+02 -0.148053D+02  0.807078D+00
      5  -0.214819D+02  0.191627D+02  0.574022D+01 -0.109776D+02 -0.342075D-01
      6   0.165554D+02 -0.146060D+02 -0.851083D+01 -0.393188D+01  0.202338D+00
                66            67            68            69            70 
      1  -0.112596D+02 -0.104572D+02  0.643532D+01  0.343781D+00 -0.201986D+02
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      6   0.149872D+00 -0.183592D+01 -0.254115D+01 -0.285831D+01 -0.291977D+01
                71            72            73            74            75 
      1  -0.195595D+01  0.637863D+01  0.284048D+01  0.103226D+02  0.794938D+01
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      4   0.867917D+00 -0.104125D+02  0.377291D+01  0.203487D+01 -0.235157D+01
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      6  -0.148729D+01  0.161834D+02 -0.312952D+01 -0.772215D+01 -0.630014D+01
                76            77            78            79            80 
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      5  -0.641669D+01  0.249654D+01 -0.202745D+01 -0.106959D+02 -0.832812D+01
      6  -0.299622D+01  0.121214D+02 -0.542443D+01 -0.149074D+02 -0.162494D+02
                81            82            83            84            85 
      1   0.110541D+02  0.380736D+02  0.198063D+02  0.220415D+01  0.158419D+02
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      6  -0.179289D+02  0.594657D+00  0.469739D+00  0.336470D+01  0.233659D+01
                86            87            88            89            90 
      1   0.103306D+02  0.163039D+01  0.852254D-01  0.322693D+00  0.431542D+00
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                91            92            93            94            95 
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                96            97            98            99           100 
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      6   0.203364D+01 -0.717323D+00  0.108612D+01  0.728592D+00  0.206342D+01
               101           102           103           104           105 
      1   0.704429D+01  0.234718D+01  0.400205D+01 -0.377851D+02 -0.890264D+01
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      3   0.211738D+00 -0.707603D+00  0.889451D-01 -0.137745D+02  0.955499D-01
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      5   0.982903D+00  0.135140D+01  0.100118D+01  0.363018D+01  0.203321D+01
      6  -0.287997D+01 -0.168836D+01 -0.910542D+00  0.156443D+02  0.103351D+02
               106           107           108           109           110 
      1   0.103549D+01 -0.877741D+01 -0.362924D+01  0.187247D+01 -0.268304D+01
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      5   0.856263D+00  0.293027D+00 -0.151112D+00 -0.278033D+01  0.345966D+01
      6  -0.338625D+00  0.576509D+01  0.376185D+01  0.243143D+01 -0.269348D+01
               111           112           113           114           115 
      1  -0.457134D+00  0.197776D+01 -0.229860D+02 -0.498335D+01  0.100506D+00
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      4   0.366897D+01  0.181903D+02 -0.405879D+02 -0.825027D+01  0.459242D+01
      5   0.337094D+01  0.362494D+01 -0.740288D+01 -0.548438D+01  0.151050D+01
      6  -0.210823D+01 -0.397530D+01  0.129543D+02  0.951663D+01 -0.152451D+01
               116           117           118           119           120 
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      2   0.705241D+01  0.330264D+01 -0.338476D+01  0.926436D+00  0.268957D+01
      3  -0.299607D+01 -0.375163D+00 -0.602711D+00  0.769721D+00  0.364389D+00
      4  -0.942488D+01 -0.243317D+01 -0.788139D+01  0.902614D+01  0.430764D+01
      5  -0.212592D+01 -0.159407D+01 -0.811185D+01  0.376796D+01  0.105352D+02
      6   0.529472D+01  0.357076D+01  0.537555D+01 -0.265057D+01 -0.411780D+01
               121           122           123           124           125 
      1   0.438326D+00 -0.559425D+01 -0.551043D+01 -0.989139D+00 -0.548589D+01
      2  -0.700986D+00  0.558768D+01  0.258672D+01  0.382048D+01  0.589171D+00
      3   0.262660D+00  0.657418D-02  0.292371D+01 -0.283134D+01  0.489672D+01
      4   0.132475D+02 -0.135958D+02 -0.910487D+01  0.767779D+01 -0.991086D+01
      5   0.578991D+01 -0.923081D+01 -0.117995D+02  0.154635D+02 -0.118843D+02
      6  -0.551316D+01  0.121515D+02  0.138973D+02 -0.898132D+01  0.138340D+02
               126           127           128           129           130 
      1  -0.934563D+01 -0.509872D+02  0.208425D+02 -0.425758D+01  0.123508D+02
      2  -0.561331D+01  0.200846D+02 -0.182687D+02  0.426041D+00 -0.100478D+02
      3   0.149589D+02  0.309026D+02 -0.257380D+01  0.383154D+01 -0.230308D+01
      4  -0.122605D+02  0.262826D+02  0.628585D+01 -0.421739D+01  0.118417D+02
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      6   0.188986D+02 -0.187935D+01  0.737418D+01 -0.508223D+01  0.640070D+01
               131           132           133           134           135 
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      2  -0.237573D+02  0.145931D+02 -0.325025D+01  0.117476D+02  0.764528D+01
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      4   0.462651D+01 -0.393728D+01 -0.143991D+02  0.114342D+01 -0.212570D+02
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      6   0.868376D+01  0.464046D+01 -0.117900D+02  0.749089D+01 -0.444297D+01
               136           137           138           139           140 
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      3   0.877981D-01 -0.105398D+01  0.149374D+01 -0.198749D+00  0.374992D+01
      4   0.391107D+01  0.139054D+01 -0.282583D+01  0.408496D+01  0.356885D+01
      5  -0.491969D+01 -0.232236D+01  0.632346D+01 -0.326074D+01 -0.521506D+01
      6  -0.263814D+01 -0.371687D+00  0.840384D-01 -0.217830D+01 -0.599299D+01
               141           142           143           144           145 
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      6   0.102546D+02  0.607679D+01  0.103063D+02 -0.214504D+02  0.851659D+00
               146           147           148           149           150 
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      3  -0.681344D+01 -0.393260D+01 -0.535050D+01 -0.525751D+01 -0.137334D+01
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      6  -0.243835D+00  0.255495D+01 -0.323713D+00  0.816350D+00  0.199780D+01
               151           152           153           154           155 
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      2  -0.727557D+01  0.107091D+01 -0.491428D+01  0.335440D+01 -0.553606D+01
      3  -0.796304D+01 -0.313390D+01 -0.810106D+00 -0.277880D+01  0.671412D+00
      4   0.651996D+01  0.468838D+01  0.414913D+01  0.114308D+01  0.749952D+01
      5   0.998822D+01  0.280561D+01  0.236618D+01 -0.605574D+00 -0.599180D+00
      6   0.265833D+01  0.185343D+01 -0.228073D+00 -0.261492D+01  0.122719D+01
               156           157           158           159           160 
      1  -0.209978D+01 -0.402675D+01 -0.388999D+02  0.735284D+01 -0.109289D+01
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      3   0.552321D+00 -0.354521D+01 -0.238891D+02  0.386377D+01  0.246938D+01
      4  -0.167332D+01  0.991793D+01  0.176789D+02 -0.286956D+01 -0.354865D+01
      5   0.264609D+01 -0.130512D+01 -0.258769D+01  0.268557D+01  0.360030D+01
      6  -0.339666D-01 -0.208661D+01 -0.153545D+02  0.104609D+02  0.418928D+01
               161           162           163           164           165 
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      2  -0.197457D+02  0.875857D+01 -0.349593D+01  0.143885D+01 -0.621012D-01
      3   0.665755D+01 -0.431898D+00  0.153879D+01 -0.264087D+00  0.171586D+00
      4  -0.567122D+01  0.385048D+01  0.673525D+01  0.630557D+01  0.601739D+01
      5   0.392567D+01 -0.360155D+00  0.678465D+01  0.453343D+01  0.944315D+01
      6   0.149529D+02 -0.647590D+01  0.645838D+01  0.424267D+01  0.622042D+01
               166           167           168           169           170 
      1  -0.428789D+01 -0.106153D+02 -0.475529D+01 -0.403672D+01 -0.110828D+02
      2   0.563887D+01  0.122932D+02  0.401912D+01  0.181420D+00  0.699788D+01
      3  -0.135098D+01 -0.167790D+01  0.736169D+00  0.385530D+01  0.408492D+01
      4   0.500969D+01  0.758718D+01  0.479942D+01  0.118662D+02  0.105032D+02
      5   0.248372D+01  0.482148D+01  0.397263D+01  0.131635D+02  0.111074D+02
      6   0.416462D+01  0.739333D+01  0.908567D+01  0.127925D+02  0.191121D+02
               171           172           173           174           175 
      1  -0.168024D+02  0.327817D+01 -0.889150D+00  0.524328D+01  0.302178D+01
      2   0.832761D+00 -0.372877D+01  0.177482D+01 -0.219677D+00 -0.210433D+01
      3   0.159697D+02  0.450606D+00 -0.885668D+00 -0.502360D+01 -0.917447D+00
      4   0.108722D+02 -0.520613D+00 -0.149483D+01 -0.639079D+00 -0.174333D+01
      5   0.200990D+02  0.219405D+01  0.114775D+01  0.451363D+00  0.454640D+01
      6   0.291483D+02  0.326002D+00 -0.164044D+01  0.181812D+01 -0.942264D+00
               176           177           178           179           180 
      1  -0.474982D+01 -0.299833D+01  0.494932D+01 -0.132700D+01 -0.130824D+02
      2  -0.262467D+00 -0.874089D+01 -0.358141D+01 -0.673986D+01 -0.172004D+02
      3   0.501229D+01  0.117392D+02 -0.136791D+01  0.806686D+01  0.302828D+02
      4   0.608413D+01  0.514330D+01 -0.160537D+01  0.689508D+01  0.718883D+01
      5   0.355785D+01  0.113251D+02  0.649760D+01  0.453831D+01  0.227957D+02
      6   0.221184D+01  0.665046D+00 -0.463547D+00  0.370069D+01 -0.530843D+01
               181           182           183           184           185 
      1   0.751141D+02 -0.129169D+02  0.167562D+01 -0.513787D+01  0.415509D+01
      2  -0.344278D+02  0.237356D+01 -0.292957D+01 -0.855995D+00  0.170366D+01
      3  -0.406863D+02  0.105433D+02  0.125395D+01  0.599387D+01 -0.585875D+01
      4  -0.407576D+02  0.192566D+02 -0.287792D+01  0.139128D+02 -0.896447D+01
      5   0.177495D+02 -0.454663D+01  0.115807D+02 -0.104354D+01  0.153003D+01
      6  -0.320342D+01  0.294965D+01 -0.476590D+01  0.115052D+01 -0.191662D+01
               186           187           188           189           190 
      1   0.161109D+00 -0.565829D+01  0.797609D+00  0.528939D+01 -0.702184D+00
      2  -0.114883D+01  0.821827D+00 -0.170350D+00 -0.449289D+01  0.384431D+01
      3   0.987725D+00  0.483646D+01 -0.627259D+00 -0.796500D+00 -0.314213D+01
      4   0.809030D+00  0.401930D+01 -0.220453D+01 -0.160483D+01 -0.898651D+00
      5   0.187352D-01  0.835686D+01 -0.425637D+00  0.296557D+00 -0.933518D+00
      6   0.135548D+01 -0.297176D+01  0.113218D+01  0.609724D+00 -0.136139D+01
               191           192           193           194           195 
      1  -0.122842D+02  0.400307D+01 -0.859332D+01 -0.296864D+02  0.776312D+01
      2   0.135972D+02 -0.223185D+01  0.574275D+01  0.427898D+02 -0.749627D+01
      3  -0.131302D+01 -0.177122D+01  0.285057D+01 -0.131033D+02 -0.266851D+00
      4  -0.186495D+01  0.124045D+01  0.631513D+01 -0.241150D+02  0.630680D+01
      5  -0.301961D+00 -0.195469D+01 -0.338573D+01  0.409220D+01 -0.408854D+01
      6  -0.598584D+01  0.450003D+01 -0.767243D+00 -0.184617D+02  0.109669D+02
               196           197           198 
      1   0.583705D+00  0.587148D+01 -0.703200D+01
      2  -0.129075D+00 -0.492623D+01  0.385244D+01
      3  -0.454630D+00 -0.945251D+00  0.317957D+01
      4   0.816121D+00  0.332358D+01 -0.133342D+01
      5   0.428815D+00 -0.203348D+01  0.254488D+01
      6   0.173806D+01  0.909553D+01 -0.491087D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 18:35:38 2021, MaxMem= 10737418240 cpu:           15142.6 elap:             947.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30323 -10.29819 -10.29746 -10.29675 -10.29652
 Alpha  occ. eigenvalues --  -10.29607 -10.29582 -10.29560 -10.29388 -10.28761
 Alpha  occ. eigenvalues --   -0.96936  -0.90968  -0.85559  -0.81805  -0.80296
 Alpha  occ. eigenvalues --   -0.74276  -0.69855  -0.66473  -0.65130  -0.59165
 Alpha  occ. eigenvalues --   -0.56660  -0.54714  -0.53492  -0.51313  -0.50078
 Alpha  occ. eigenvalues --   -0.48661  -0.47801  -0.46808  -0.45176  -0.43292
 Alpha  occ. eigenvalues --   -0.41958  -0.40948  -0.40720  -0.40246  -0.32524
 Alpha  occ. eigenvalues --   -0.31153
 Alpha virt. eigenvalues --    0.05602   0.06502   0.08876   0.10742   0.10843
 Alpha virt. eigenvalues --    0.12127   0.13112   0.13418   0.14586   0.15972
 Alpha virt. eigenvalues --    0.16491   0.16714   0.18628   0.19292   0.20312
 Alpha virt. eigenvalues --    0.20822   0.21778   0.22045   0.22784   0.23561
 Alpha virt. eigenvalues --    0.23666   0.24285   0.25348   0.26028   0.26910
 Alpha virt. eigenvalues --    0.27731   0.28103   0.28340   0.28818   0.29777
 Alpha virt. eigenvalues --    0.31235   0.31640   0.33159   0.33376   0.33702
 Alpha virt. eigenvalues --    0.34186   0.34820   0.35906   0.36162   0.36780
 Alpha virt. eigenvalues --    0.37344   0.37989   0.38842   0.39084   0.39554
 Alpha virt. eigenvalues --    0.40385   0.40546   0.41371   0.41658   0.42522
 Alpha virt. eigenvalues --    0.42594   0.42920   0.43699   0.44331   0.44757
 Alpha virt. eigenvalues --    0.44989   0.45749   0.46035   0.46198   0.46625
 Alpha virt. eigenvalues --    0.47078   0.47362   0.47652   0.48377   0.48796
 Alpha virt. eigenvalues --    0.49614   0.50101   0.50265   0.50696   0.51782
 Alpha virt. eigenvalues --    0.52194   0.52755   0.53179   0.53980   0.54012
 Alpha virt. eigenvalues --    0.54057   0.54672   0.55339   0.56622   0.57030
 Alpha virt. eigenvalues --    0.58058   0.58400   0.59289   0.59376   0.59956
 Alpha virt. eigenvalues --    0.60804   0.61400   0.62798   0.63264   0.63717
 Alpha virt. eigenvalues --    0.64671   0.65015   0.66319   0.66720   0.67983
 Alpha virt. eigenvalues --    0.68563   0.68978   0.69160   0.70320   0.70743
 Alpha virt. eigenvalues --    0.71042   0.72296   0.73079   0.73887   0.75021
 Alpha virt. eigenvalues --    0.75506   0.77290   0.78219   0.79486   0.80609
 Alpha virt. eigenvalues --    0.81867   0.82471   0.84159   0.84290   0.85763
 Alpha virt. eigenvalues --    0.86710   0.88190   0.89672   0.90932   0.92530
 Alpha virt. eigenvalues --    0.93911   0.96077   0.96846   0.98464   0.99709
 Alpha virt. eigenvalues --    1.01716   1.03459   1.05016   1.05502   1.06497
 Alpha virt. eigenvalues --    1.07272   1.08240   1.09154   1.09860   1.10458
 Alpha virt. eigenvalues --    1.11145   1.11601   1.12105   1.13039   1.14621
 Alpha virt. eigenvalues --    1.15943   1.18162   1.18346   1.20477   1.21177
 Alpha virt. eigenvalues --    1.21816   1.23668   1.24204   1.24390   1.27931
 Alpha virt. eigenvalues --    1.28945   1.30160   1.31217   1.31659   1.33279
 Alpha virt. eigenvalues --    1.34861   1.36167   1.37063   1.37452   1.39551
 Alpha virt. eigenvalues --    1.41755   1.43453   1.46165   1.47770   1.49508
 Alpha virt. eigenvalues --    1.51739   1.52813   1.55012   1.57778   1.58754
 Alpha virt. eigenvalues --    1.60716   1.61392   1.62604   1.68925   1.70189
 Alpha virt. eigenvalues --    1.73108   1.73177   1.75456   1.77636   1.80107
 Alpha virt. eigenvalues --    1.81935   1.82513   1.83216   1.85050   1.87300
 Alpha virt. eigenvalues --    1.88378   1.89772   1.91809   1.93945   1.95463
 Alpha virt. eigenvalues --    1.97151   1.97779   1.98610   2.00051   2.02329
 Alpha virt. eigenvalues --    2.03875   2.04338   2.06928   2.08857   2.09796
 Alpha virt. eigenvalues --    2.10728   2.12992   2.13413   2.15169   2.16582
 Alpha virt. eigenvalues --    2.17490   2.18490   2.23573   2.24676   2.24856
 Alpha virt. eigenvalues --    2.25259   2.27693   2.28202   2.30636   2.32354
 Alpha virt. eigenvalues --    2.36030   2.38015   2.39466   2.42783   2.45837
 Alpha virt. eigenvalues --    2.47414   2.48455   2.49859   2.50543   2.51949
 Alpha virt. eigenvalues --    2.53344   2.55778   2.57219   2.59060   2.59697
 Alpha virt. eigenvalues --    2.62135   2.63859   2.67875   2.70197   2.72322
 Alpha virt. eigenvalues --    2.72622   2.78663   2.79394   2.82611   2.84244
 Alpha virt. eigenvalues --    2.86794   2.94911   2.95673   2.97196   2.98487
 Alpha virt. eigenvalues --    3.03161   3.09052   3.10476   3.12713   3.16164
 Alpha virt. eigenvalues --    3.18839   3.19754   3.23114   3.24454   3.25278
 Alpha virt. eigenvalues --    3.28650   3.29152   3.34469   3.45048   3.77699
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.996082   0.282311  -0.082339   0.260726  -0.120147   0.509140
     2  C    0.282311   5.878495   0.528844  -0.144921   0.231896   0.038332
     3  C   -0.082339   0.528844   7.858568  -0.571299  -0.110029  -0.372250
     4  C    0.260726  -0.144921  -0.571299   8.980056  -1.179177   0.032063
     5  C   -0.120147   0.231896  -0.110029  -1.179177   9.019409  -0.640415
     6  C    0.509140   0.038332  -0.372250   0.032063  -0.640415   7.658829
     7  C    0.015813   0.047328  -0.384006   0.126001  -0.591149   0.008181
     8  C    0.002580  -0.004437   0.062855  -0.087527  -0.031620   0.018941
     9  C    0.048839   0.000996   0.021492  -0.662154   0.225711  -0.326797
    10  H   -0.097765  -0.186212  -0.159076  -0.027778   0.073160  -0.066821
    11  H   -0.188545  -0.098609  -0.055348   0.079763  -0.048581  -0.134285
    12  H   -0.268161  -0.112433  -0.269273  -0.507060   0.225038   0.128281
    13  H   -0.109605  -0.219715   0.125876   0.181363  -0.345254  -0.350398
    14  H    0.006125   0.001467  -0.076389  -0.139907  -0.023950  -0.003895
    15  C   -0.001060  -0.000538   0.007396   0.018354   0.065917   0.008800
    16  H    0.000404  -0.001620   0.005432  -0.041482   0.005822  -0.000387
    17  H   -0.000628   0.000104  -0.001669   0.019687  -0.041987   0.004663
    18  H   -0.003149   0.000506  -0.006756   0.102249  -0.005682  -0.018945
    19  H   -0.004131  -0.002136  -0.003706   0.085081   0.102955   0.013942
    20  H   -0.002391  -0.000092  -0.001471  -0.033492   0.033241  -0.001177
    21  H   -0.000269  -0.000077   0.005221   0.011694   0.004178  -0.000535
    22  H    0.003102   0.000670  -0.009137  -0.048910  -0.031092  -0.000900
               7          8          9         10         11         12
     1  C    0.015813   0.002580   0.048839  -0.097765  -0.188545  -0.268161
     2  C    0.047328  -0.004437   0.000996  -0.186212  -0.098609  -0.112433
     3  C   -0.384006   0.062855   0.021492  -0.159076  -0.055348  -0.269273
     4  C    0.126001  -0.087527  -0.662154  -0.027778   0.079763  -0.507060
     5  C   -0.591149  -0.031620   0.225711   0.073160  -0.048581   0.225038
     6  C    0.008181   0.018941  -0.326797  -0.066821  -0.134285   0.128281
     7  C    6.657886   0.158728  -0.158541   0.002775  -0.001604  -0.070424
     8  C    0.158728   4.712705   0.360580  -0.000436   0.000479   0.000194
     9  C   -0.158541   0.360580   5.730956  -0.001740   0.002129   0.006228
    10  H    0.002775  -0.000436  -0.001740   1.915797  -0.405580  -0.409632
    11  H   -0.001604   0.000479   0.002129  -0.405580   1.922560   0.047153
    12  H   -0.070424   0.000194   0.006228  -0.409632   0.047153   1.699237
    13  H   -0.001077  -0.003670  -0.060005   0.045100  -0.403695  -0.012337
    14  H    0.233467  -0.045651  -0.022794  -0.001151   0.000002   0.020234
    15  C    0.151408  -0.024262   0.006732   0.000040  -0.000228   0.003788
    16  H   -0.046153   0.318805   0.093855  -0.000033   0.000023   0.000741
    17  H    0.122058   0.218719  -0.004271   0.000013  -0.000010  -0.001089
    18  H    0.014514  -0.018877   0.086455   0.000164  -0.001466  -0.000263
    19  H    0.035972   0.000401   0.006917   0.000183  -0.000939  -0.000160
    20  H    0.127984  -0.022105   0.024038   0.000027   0.000054  -0.000072
    21  H    0.031623  -0.004287  -0.006684  -0.000002   0.000002   0.000941
    22  H    0.142730   0.012164  -0.008656  -0.000016  -0.000042  -0.002060
              13         14         15         16         17         18
     1  C   -0.109605   0.006125  -0.001060   0.000404  -0.000628  -0.003149
     2  C   -0.219715   0.001467  -0.000538  -0.001620   0.000104   0.000506
     3  C    0.125876  -0.076389   0.007396   0.005432  -0.001669  -0.006756
     4  C    0.181363  -0.139907   0.018354  -0.041482   0.019687   0.102249
     5  C   -0.345254  -0.023950   0.065917   0.005822  -0.041987  -0.005682
     6  C   -0.350398  -0.003895   0.008800  -0.000387   0.004663  -0.018945
     7  C   -0.001077   0.233467   0.151408  -0.046153   0.122058   0.014514
     8  C   -0.003670  -0.045651  -0.024262   0.318805   0.218719  -0.018877
     9  C   -0.060005  -0.022794   0.006732   0.093855  -0.004271   0.086455
    10  H    0.045100  -0.001151   0.000040  -0.000033   0.000013   0.000164
    11  H   -0.403695   0.000002  -0.000228   0.000023  -0.000010  -0.001466
    12  H   -0.012337   0.020234   0.003788   0.000741  -0.001089  -0.000263
    13  H    1.590997   0.000319   0.000381  -0.001152   0.000120   0.036599
    14  H    0.000319   1.185122  -0.044642  -0.100577   0.081051   0.003707
    15  C    0.000381  -0.044642   4.300546   0.029030  -0.070782  -0.003955
    16  H   -0.001152  -0.100577   0.029030   0.944265  -0.157731  -0.063152
    17  H    0.000120   0.081051  -0.070782  -0.157731   1.008474   0.032136
    18  H    0.036599   0.003707  -0.003955  -0.063152   0.032136   0.739976
    19  H    0.011736  -0.003358  -0.003123   0.010350  -0.050099   0.008999
    20  H   -0.000356  -0.002358   0.293179  -0.002241  -0.014289  -0.000426
    21  H   -0.000006  -0.040396   0.280482   0.009411   0.003124  -0.000365
    22  H    0.000170   0.044993   0.220082  -0.003939   0.003564   0.000352
              19         20         21         22
     1  C   -0.004131  -0.002391  -0.000269   0.003102
     2  C   -0.002136  -0.000092  -0.000077   0.000670
     3  C   -0.003706  -0.001471   0.005221  -0.009137
     4  C    0.085081  -0.033492   0.011694  -0.048910
     5  C    0.102955   0.033241   0.004178  -0.031092
     6  C    0.013942  -0.001177  -0.000535  -0.000900
     7  C    0.035972   0.127984   0.031623   0.142730
     8  C    0.000401  -0.022105  -0.004287   0.012164
     9  C    0.006917   0.024038  -0.006684  -0.008656
    10  H    0.000183   0.000027  -0.000002  -0.000016
    11  H   -0.000939   0.000054   0.000002  -0.000042
    12  H   -0.000160  -0.000072   0.000941  -0.002060
    13  H    0.011736  -0.000356  -0.000006   0.000170
    14  H   -0.003358  -0.002358  -0.040396   0.044993
    15  C   -0.003123   0.293179   0.280482   0.220082
    16  H    0.010350  -0.002241   0.009411  -0.003939
    17  H   -0.050099  -0.014289   0.003124   0.003564
    18  H    0.008999  -0.000426  -0.000365   0.000352
    19  H    0.763064  -0.007354   0.003165   0.000715
    20  H   -0.007354   0.665253  -0.007797  -0.029473
    21  H    0.003165  -0.007797   0.639698  -0.043520
    22  H    0.000715  -0.029473  -0.043520   0.768467
 Mulliken charges:
               1
     1  C   -0.246932
     2  C   -0.240159
     3  C   -0.512936
     4  C   -0.453331
     5  C   -0.818244
     6  C   -0.504366
     7  C   -0.623513
     8  C    0.375721
     9  C    0.636713
    10  H    0.318982
    11  H    0.286768
    12  H    0.521126
    13  H    0.514610
    14  H   -0.071419
    15  C    0.762456
    16  H    0.000327
    17  H   -0.151158
    18  H    0.097379
    19  H    0.031528
    20  H   -0.018685
    21  H    0.114397
    22  H   -0.019264
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.072051
     2  C    0.046609
     3  C    0.008190
     4  C   -0.453331
     5  C   -0.818244
     6  C    0.010244
     7  C   -0.694932
     8  C    0.224890
     9  C    0.765621
    15  C    0.838904
 Electronic spatial extent (au):  <R**2>=           1392.9676
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6229    Y=              0.1211    Z=             -0.0115  Tot=              0.6346
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.7139   YY=            -57.2095   ZZ=            -63.2497
   XY=              0.1065   XZ=             -0.6867   YZ=              1.3890
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.6771   YY=              2.1816   ZZ=             -3.8587
   XY=              0.1065   XZ=             -0.6867   YZ=              1.3890
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -7.7448  YYY=             -0.4196  ZZZ=             -0.4820  XYY=             -3.4019
  XXY=             -0.5402  XXZ=              1.7152  XZZ=              6.9111  YZZ=              1.5707
  YYZ=             -1.4437  XYZ=             -1.4066
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1139.3788 YYYY=           -556.9479 ZZZZ=           -167.9068 XXXY=              1.5544
 XXXZ=             -7.0751 YYYX=              1.1363 YYYZ=              6.0429 ZZZX=             -2.1949
 ZZZY=              0.6293 XXYY=           -288.0659 XXZZ=           -241.2004 YYZZ=           -127.3308
 XXYZ=              7.7900 YYXZ=             -2.1983 ZZXY=              0.6673
 N-N= 5.059728505916D+02 E-N=-1.908024542860D+03  KE= 3.832033274475D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 18:35:38 2021, MaxMem= 10737418240 cpu:               5.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28257933D-01 4.59182780D-02-1.27765492D-02
 Polarizability= 1.37576691D+02 1.42875506D+00 1.17519961D+02
                -2.29571087D+00 5.20228097D+00 7.75956099D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2048    1.2054        0.8497    0.8473
 2     -1.2048   -1.2054       -2.6329   -2.6338      -10.6471  -10.6391
 3     -0.8497   -0.8473       30.7581   30.7479        2.6328    2.6338
 4      2.6329    2.6338        0.0000    0.0000       -0.8502   -0.8473
 5    -20.1110  -20.1088        0.8502    0.8473        1.2040    1.2054
 6     -2.6328   -2.6338       -1.2040   -1.2054       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.6163   -3.6163        2.5418    2.5418
 2      7.9015    7.9015        0.0000    0.0000        2.5418    2.5418
 3      7.9015    7.9015       -3.6163   -3.6163       -0.0000    0.0000
 4     -3.6163   -3.6163       -7.9015   -7.9015      -31.9172  -31.9172
 5     -2.5418   -2.5418       92.2436   92.2436        7.9015    7.9015
 6    -60.3264  -60.3264        2.5418    2.5418        3.6163    3.6163
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0031    0.0000       -4.8002   -4.8218       -3.6364   -3.3891
 2      4.8459    4.8218       10.8474   10.5354       42.8487   42.5562
 3      3.4575    3.3891     -123.0897 -122.9914      -10.5339  -10.5354
 4    -10.8060  -10.5354       -0.0136    0.0000        3.4182    3.3891
 5     80.4590   80.4352       -3.2612   -3.3891       -4.8086   -4.8218
 6     10.4909   10.5354        4.8095    4.8218       -0.0870    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0769    0.0000        3.6538    3.8269       -7.7500   -7.7676
 2     -3.6452   -3.8269       46.7468   46.5515       33.8126   33.9971
 3      7.7281    7.7676       18.2992   18.2761      -46.1738  -46.5515
 4    -46.5878  -46.5515        0.1413    0.0000        7.8972    7.7676
 5    -52.0237  -52.2732       -7.6621   -7.7676        3.8655    3.8269
 6     46.6563   46.5515       -3.7359   -3.8269       -0.1468    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.1742   -7.3577       18.8633   18.5771       14.8859   14.7211
 2    -74.0194  -74.0915       19.6480   19.5179       15.0308   14.7211
 3    -73.9123  -74.0915       18.8808   18.5771       14.4670   14.1536
 4     -0.8562   -0.9408       66.7537   66.7337       33.4048   33.2339
 5     -0.6036   -0.5674       35.4503   35.1006      -65.7964  -66.7337
 6    -68.0587  -68.3345        0.9840    0.5674        1.2552    0.9408
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0005    0.0006    2.4026    5.2078    8.5405
 Low frequencies ---  106.0399  132.0549  212.3502
 Diagonal vibrational polarizability:
        1.0892232       1.0718862       6.1129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.0370               132.0531               212.3501
 Red. masses --      2.7203                 2.8873                 2.2959
 Frc consts  --      0.0180                 0.0297                 0.0610
 IR Inten    --      0.0022                 0.5622                 1.6550
 RamAct Fr= 1--      2.6602                 3.5180                 1.1470
  Dep-P Fr= 1--      0.7471                 0.7366                 0.6338
  Dep-U Fr= 1--      0.8552                 0.8484                 0.7759
 Alpha2 Fr= 1--      0.0001                 0.0008                 0.0024
 Beta2  Fr= 1--      0.3792                 0.4974                 0.1483
 AlphaG Fr= 1--      0.0007                 0.0005                 0.0038
 Gamma2 Fr= 1--      1.3697                 0.4355                -0.2639
 Delta2 Fr= 1--      0.7783                 0.0280                 0.0649
 Raman1 Fr= 1--      10.641                 14.072                  4.588
 ROA1   Fr= 1--     156.394                 42.703                -23.256
 CID1   Fr= 1--      14.698                  3.035                 -5.069
 Raman2 Fr= 1--       4.550                  5.969                  1.780
 ROA2   Fr= 1--      26.646                 10.228                 -6.852
 CID2   Fr= 1--       5.856                  1.714                 -3.850
 Raman3 Fr= 1--       9.100                 11.938                  3.560
 ROA3   Fr= 1--     156.394                 42.703                -23.256
 CID3   Fr= 1--      17.186                  3.577                 -6.533
 RC180  Fr= 1--       0.710                  0.697                  0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.10    -0.04   0.04  -0.06     0.03  -0.03   0.14
     2   6     0.02  -0.00   0.05    -0.04   0.06  -0.17     0.02  -0.00  -0.01
     3   6    -0.03   0.01  -0.14    -0.03  -0.02   0.11     0.02  -0.02   0.04
     4   6    -0.00  -0.03  -0.04    -0.01  -0.04   0.15    -0.00   0.01  -0.10
     5   6     0.03  -0.04   0.06    -0.01  -0.03   0.10     0.01   0.01  -0.08
     6   6     0.04  -0.03   0.13    -0.02   0.03  -0.06     0.01   0.02  -0.13
     7   6    -0.00  -0.03   0.00    -0.01  -0.02   0.02     0.00   0.02  -0.07
     8   6    -0.05  -0.04  -0.15    -0.09  -0.01  -0.07    -0.01   0.03  -0.03
     9   6     0.05  -0.07   0.02     0.01  -0.05   0.12     0.05  -0.08   0.17
    10   1    -0.04   0.06  -0.18    -0.06   0.06  -0.12     0.04  -0.07   0.30
    11   1     0.03   0.01   0.09    -0.05   0.11  -0.33     0.02  -0.01   0.00
    12   1    -0.06   0.02  -0.23    -0.04  -0.03   0.15     0.03  -0.04   0.12
    13   1     0.07  -0.05   0.22    -0.01   0.05  -0.14     0.00   0.03  -0.17
    14   1     0.05  -0.15   0.10    -0.11  -0.02  -0.01     0.06   0.02  -0.05
    15   6    -0.03   0.19   0.15     0.21   0.03  -0.07    -0.10   0.05  -0.00
    16   1    -0.27  -0.08  -0.16    -0.31  -0.00  -0.08    -0.17   0.11  -0.01
    17   1     0.02  -0.01  -0.35    -0.02   0.03  -0.27     0.04   0.01  -0.15
    18   1     0.03  -0.03   0.12     0.00   0.01   0.26     0.16   0.09   0.48
    19   1     0.16  -0.17   0.01     0.10  -0.21   0.12     0.03  -0.45   0.25
    20   1    -0.09   0.34   0.04     0.36   0.04  -0.05    -0.28   0.02  -0.02
    21   1    -0.02   0.21   0.22     0.19   0.05  -0.27    -0.08   0.13   0.15
    22   1    -0.01   0.20   0.30     0.27   0.02   0.03    -0.05   0.02  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    246.1990               290.6034               365.3570
 Red. masses --      1.0453                 2.8329                 2.6788
 Frc consts  --      0.0373                 0.1410                 0.2107
 IR Inten    --      0.0263                 1.0015                 0.4251
 RamAct Fr= 1--      0.0308                 0.6695                 0.6384
  Dep-P Fr= 1--      0.7078                 0.5280                 0.1928
  Dep-U Fr= 1--      0.8289                 0.6911                 0.3233
 Alpha2 Fr= 1--      0.0000                 0.0029                 0.0088
 Beta2  Fr= 1--      0.0043                 0.0771                 0.0344
 AlphaG Fr= 1--     -0.0002                -0.0033                 0.0025
 Gamma2 Fr= 1--     -0.0508                 0.2182                -0.9704
 Delta2 Fr= 1--      0.0247                 0.0485                -0.1943
 Raman1 Fr= 1--       0.123                  2.678                  2.554
 ROA1   Fr= 1--      -4.090                 22.498                -99.372
 CID1   Fr= 1--     -33.217                  8.401                -38.912
 Raman2 Fr= 1--       0.051                  0.925                  0.413
 ROA2   Fr= 1--      -1.417                  4.849                -21.734
 CID2   Fr= 1--     -27.768                  5.240                -52.656
 Raman3 Fr= 1--       0.102                  1.851                  0.826
 ROA3   Fr= 1--      -4.090                 22.498                -99.372
 CID3   Fr= 1--     -40.073                 12.157               -120.375
 RC180  Fr= 1--       0.658                  0.382                 -0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.09   0.04   0.05    -0.03   0.02  -0.01
     2   6    -0.00   0.02   0.00    -0.04   0.05   0.10     0.00   0.05  -0.12
     3   6    -0.02  -0.00   0.00    -0.11  -0.00  -0.10    -0.03  -0.08   0.16
     4   6     0.00  -0.02   0.01    -0.03  -0.07  -0.10    -0.00  -0.06  -0.04
     5   6     0.00  -0.01   0.01    -0.03  -0.06  -0.12     0.03  -0.09   0.06
     6   6     0.01   0.00   0.01     0.00   0.01  -0.07     0.06  -0.05   0.11
     7   6     0.01  -0.01   0.01     0.03  -0.03   0.00    -0.00   0.02  -0.15
     8   6    -0.01  -0.00  -0.00     0.05  -0.02   0.14     0.07   0.02   0.06
     9   6    -0.01   0.00  -0.02    -0.05  -0.06   0.02    -0.01  -0.03  -0.01
    10   1    -0.02   0.03  -0.02    -0.11   0.06   0.15    -0.06   0.06  -0.05
    11   1    -0.00   0.03  -0.00    -0.01   0.07   0.24    -0.00   0.13  -0.29
    12   1    -0.03  -0.00  -0.00    -0.20  -0.02  -0.13    -0.07  -0.12   0.29
    13   1     0.03   0.01   0.01     0.09   0.03  -0.07     0.13  -0.05   0.20
    14   1     0.02   0.00   0.01     0.11  -0.01   0.01     0.04   0.04  -0.15
    15   6     0.02  -0.00   0.00     0.19   0.10   0.01    -0.08   0.14  -0.07
    16   1    -0.01  -0.02  -0.01     0.27   0.06   0.16     0.36   0.17   0.10
    17   1    -0.01   0.01  -0.01    -0.02  -0.07   0.34    -0.01  -0.10   0.33
    18   1    -0.03  -0.01  -0.05     0.00  -0.05   0.05    -0.11  -0.09  -0.11
    19   1    -0.00   0.04  -0.03    -0.19  -0.10   0.07    -0.03   0.12  -0.03
    20   1    -0.46  -0.30   0.09     0.30   0.21  -0.04    -0.18   0.28  -0.18
    21   1     0.10   0.51   0.23     0.18   0.19  -0.15    -0.07   0.14   0.05
    22   1     0.44  -0.24  -0.33     0.30   0.09   0.21    -0.09   0.16   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    413.0301               446.7862               536.0813
 Red. masses --      2.7330                 2.7308                 4.7337
 Frc consts  --      0.2747                 0.3212                 0.8015
 IR Inten    --      0.2925                 6.6577                 0.5122
 RamAct Fr= 1--      0.5505                 0.7081                11.2020
  Dep-P Fr= 1--      0.7486                 0.3940                 0.1894
  Dep-U Fr= 1--      0.8562                 0.5653                 0.3185
 Alpha2 Fr= 1--      0.0000                 0.0054                 0.1564
 Beta2  Fr= 1--      0.0786                 0.0667                 0.5947
 AlphaG Fr= 1--     -0.0003                 0.0064                -0.0014
 Gamma2 Fr= 1--      0.3630                 0.4457                -1.3621
 Delta2 Fr= 1--      0.0391                 0.2204                -0.1135
 Raman1 Fr= 1--       2.202                  2.832                 44.808
 ROA1   Fr= 1--      36.097                 49.843               -134.389
 CID1   Fr= 1--      16.392                 17.598                 -2.999
 Raman2 Fr= 1--       0.943                  0.801                  7.137
 ROA2   Fr= 1--       8.399                  8.934                -31.782
 CID2   Fr= 1--       8.908                 11.159                 -4.453
 Raman3 Fr= 1--       1.886                  1.601                 14.273
 ROA3   Fr= 1--      36.097                 49.843               -134.389
 CID3   Fr= 1--      19.144                 31.129                 -9.415
 RC180  Fr= 1--       0.712                  0.131                 -0.363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.09  -0.02     0.02  -0.03   0.13     0.20   0.06  -0.11
     2   6    -0.03  -0.10  -0.01     0.04   0.00  -0.00     0.25   0.04   0.08
     3   6     0.03   0.05   0.00    -0.02   0.01  -0.16     0.13  -0.13   0.01
     4   6    -0.07   0.12   0.05     0.00  -0.04   0.09    -0.05  -0.04   0.07
     5   6    -0.02   0.14   0.03     0.05  -0.07   0.24    -0.03   0.01  -0.09
     6   6    -0.10   0.01   0.01     0.03   0.03  -0.15     0.10   0.16  -0.02
     7   6    -0.13  -0.04  -0.03    -0.03  -0.00  -0.05    -0.19  -0.05   0.00
     8   6     0.09  -0.15   0.03    -0.01   0.00   0.01    -0.19  -0.08   0.10
     9   6     0.15  -0.01   0.00    -0.01   0.02   0.01    -0.15  -0.03   0.02
    10   1     0.05  -0.13  -0.04     0.01  -0.03   0.20     0.09   0.19  -0.18
    11   1    -0.05  -0.15  -0.01     0.03   0.04  -0.10     0.23  -0.10   0.17
    12   1     0.17   0.09  -0.02    -0.05   0.08  -0.49     0.18  -0.12   0.02
    13   1    -0.25  -0.03   0.01     0.00   0.10  -0.51     0.13   0.16  -0.00
    14   1    -0.27  -0.10  -0.03    -0.07   0.01  -0.07    -0.27  -0.03  -0.04
    15   6     0.01   0.09  -0.05    -0.05   0.04  -0.04    -0.05   0.06  -0.07
    16   1     0.31  -0.07   0.05     0.06   0.05   0.03    -0.12  -0.03   0.11
    17   1     0.06  -0.35   0.20    -0.02  -0.05   0.07    -0.20  -0.15   0.15
    18   1     0.32   0.01   0.00    -0.20  -0.11  -0.20    -0.09  -0.04  -0.01
    19   1     0.17  -0.05   0.00     0.11   0.31  -0.07    -0.27  -0.03   0.05
    20   1    -0.03   0.14  -0.09    -0.11   0.10  -0.08    -0.01   0.13  -0.10
    21   1     0.03   0.33  -0.13    -0.05   0.05   0.03    -0.05   0.21  -0.19
    22   1     0.24   0.02   0.07    -0.06   0.06   0.01     0.11   0.01   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    555.3319               599.6320               668.6377
 Red. masses --      3.3375                 4.7828                 2.6843
 Frc consts  --      0.6064                 1.0132                 0.7071
 IR Inten    --      2.2008                 0.8571                 0.3238
 RamAct Fr= 1--      0.7726                 3.2694                 0.3706
  Dep-P Fr= 1--      0.7338                 0.7182                 0.1038
  Dep-U Fr= 1--      0.8465                 0.8360                 0.1881
 Alpha2 Fr= 1--      0.0002                 0.0018                 0.0064
 Beta2  Fr= 1--      0.1090                 0.4555                 0.0116
 AlphaG Fr= 1--      0.0036                 0.0051                -0.0151
 Gamma2 Fr= 1--      0.8057                -0.1427                 0.1756
 Delta2 Fr= 1--      0.0850                 0.2094                -0.0888
 Raman1 Fr= 1--       3.090                 13.077                  1.482
 ROA1   Fr= 1--      80.066                 -6.995                 14.016
 CID1   Fr= 1--      25.909                 -0.535                  9.456
 Raman2 Fr= 1--       1.308                  5.466                  0.139
 ROA2   Fr= 1--      18.657                 -5.099                  4.924
 CID2   Fr= 1--      14.265                 -0.933                 35.320
 Raman3 Fr= 1--       2.616                 10.933                  0.279
 ROA3   Fr= 1--      80.066                 -6.995                 14.016
 CID3   Fr= 1--      30.608                 -0.640                 50.263
 RC180  Fr= 1--       0.693                  0.672                 -0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.17    -0.18  -0.16  -0.01     0.03  -0.04   0.08
     2   6    -0.01  -0.06   0.21     0.17  -0.07  -0.05     0.07   0.03  -0.07
     3   6    -0.05  -0.03   0.09    -0.17  -0.11  -0.01    -0.02  -0.13  -0.09
     4   6     0.02  -0.07   0.23    -0.13  -0.02  -0.05    -0.09  -0.03   0.06
     5   6     0.03  -0.02  -0.05     0.17   0.06  -0.06    -0.06  -0.01  -0.01
     6   6     0.01  -0.03  -0.14     0.20  -0.09  -0.03    -0.01   0.09   0.10
     7   6     0.03   0.07  -0.03    -0.14   0.06   0.11    -0.05   0.14   0.10
     8   6     0.09   0.08  -0.04    -0.05   0.08   0.06     0.10   0.08  -0.09
     9   6     0.05  -0.01  -0.02     0.13   0.21   0.05     0.01  -0.10  -0.10
    10   1    -0.12   0.09  -0.48    -0.29  -0.05   0.12    -0.08   0.07   0.08
    11   1     0.02  -0.02   0.35     0.24   0.14   0.07     0.03  -0.01  -0.21
    12   1    -0.09   0.00  -0.08    -0.06  -0.11   0.11    -0.03  -0.10  -0.21
    13   1     0.00   0.01  -0.32     0.10  -0.15   0.10    -0.04   0.10   0.06
    14   1    -0.07   0.07  -0.05    -0.04   0.12   0.09    -0.07   0.04   0.16
    15   6    -0.06   0.04  -0.05    -0.01   0.01  -0.00    -0.00   0.01   0.02
    16   1     0.21   0.13  -0.03    -0.26  -0.00   0.03     0.41   0.02  -0.10
    17   1     0.05   0.04   0.08     0.06  -0.03  -0.19    -0.01   0.06   0.22
    18   1     0.06   0.09   0.19     0.10   0.14  -0.08    -0.01   0.07   0.26
    19   1     0.03  -0.23   0.03     0.08   0.32   0.04     0.10  -0.45  -0.05
    20   1    -0.16   0.02  -0.06     0.16  -0.10   0.10     0.13  -0.22   0.20
    21   1    -0.05  -0.06   0.12    -0.03   0.06  -0.24    -0.02  -0.06  -0.13
    22   1    -0.18   0.08  -0.13     0.08  -0.03  -0.04    -0.04  -0.01  -0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    739.3819               763.2320               783.9892
 Red. masses --      2.6396                 1.5147                 2.5628
 Frc consts  --      0.8502                 0.5199                 0.9281
 IR Inten    --      9.8551                43.4738                 4.6059
 RamAct Fr= 1--      5.1775                 8.2233                16.6541
  Dep-P Fr= 1--      0.0724                 0.0993                 0.0611
  Dep-U Fr= 1--      0.1349                 0.1807                 0.1151
 Alpha2 Fr= 1--      0.0969                 0.1442                 0.3204
 Beta2  Fr= 1--      0.1164                 0.2476                 0.3194
 AlphaG Fr= 1--      0.0517                 0.0186                 0.0258
 Gamma2 Fr= 1--      0.0539                -0.9738                -0.8952
 Delta2 Fr= 1--      0.1439                -0.1322                -0.0126
 Raman1 Fr= 1--      20.710                 32.893                 66.616
 ROA1   Fr= 1--       9.778                -97.720                -86.342
 CID1   Fr= 1--       0.472                 -2.971                 -1.296
 Raman2 Fr= 1--       1.397                  2.972                  3.833
 ROA2   Fr= 1--       0.142                -22.315                -21.384
 CID2   Fr= 1--       0.101                 -7.509                 -5.579
 Raman3 Fr= 1--       2.795                  5.943                  7.666
 ROA3   Fr= 1--       9.778                -97.720                -86.342
 CID3   Fr= 1--       3.499                -16.442                -11.263
 RC180  Fr= 1--      -0.730                 -0.639                 -0.770
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.14     0.00   0.03  -0.03     0.03   0.05   0.00
     2   6     0.00   0.00   0.06    -0.03   0.02  -0.09    -0.06  -0.00   0.07
     3   6    -0.00  -0.14   0.02     0.01   0.08  -0.06     0.04   0.08   0.05
     4   6    -0.06  -0.01  -0.14     0.03  -0.00   0.10     0.03   0.04  -0.11
     5   6    -0.05  -0.02   0.16     0.02  -0.04  -0.01     0.03  -0.09   0.03
     6   6    -0.10   0.14  -0.08     0.03  -0.06  -0.04     0.04  -0.11  -0.03
     7   6     0.04   0.05   0.01    -0.03   0.03   0.04    -0.07   0.14   0.14
     8   6     0.06  -0.00  -0.01    -0.00  -0.00  -0.01    -0.01  -0.06   0.03
     9   6     0.07  -0.03   0.04    -0.02  -0.04  -0.01     0.01  -0.11  -0.02
    10   1    -0.02   0.01   0.29     0.11  -0.15   0.55     0.11   0.01  -0.25
    11   1    -0.00  -0.20   0.40     0.05  -0.07   0.55    -0.07   0.12  -0.24
    12   1     0.00  -0.25   0.46     0.04   0.01   0.26     0.01   0.08   0.04
    13   1    -0.12   0.11   0.07     0.13  -0.14   0.38     0.13  -0.04  -0.27
    14   1     0.14   0.05   0.04    -0.12  -0.00   0.03     0.05   0.07   0.22
    15   6     0.01   0.00   0.01    -0.03   0.03  -0.03    -0.07   0.09  -0.05
    16   1    -0.06  -0.01  -0.01     0.07  -0.02  -0.01    -0.11  -0.18   0.01
    17   1     0.11   0.00  -0.13    -0.03  -0.02   0.06     0.03  -0.07  -0.07
    18   1    -0.06  -0.16  -0.21    -0.07  -0.02   0.03    -0.04  -0.17  -0.12
    19   1     0.18   0.28  -0.06     0.01  -0.07  -0.01     0.01   0.01  -0.04
    20   1     0.06  -0.07   0.07    -0.01  -0.02   0.01     0.22  -0.22   0.20
    21   1     0.01  -0.04  -0.03    -0.03   0.01  -0.05    -0.11   0.08  -0.45
    22   1    -0.01   0.00  -0.08    -0.04   0.02  -0.08    -0.01   0.02  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    787.9166               852.6370               879.7097
 Red. masses --      2.2720                 3.7913                 1.3434
 Frc consts  --      0.8310                 1.6239                 0.6125
 IR Inten    --      1.4639                 0.5249                 0.0134
 RamAct Fr= 1--      0.7486                 7.0855                 1.5213
  Dep-P Fr= 1--      0.5252                 0.0934                 0.7375
  Dep-U Fr= 1--      0.6887                 0.1708                 0.8489
 Alpha2 Fr= 1--      0.0033                 0.1261                 0.0003
 Beta2  Fr= 1--      0.0859                 0.2017                 0.2152
 AlphaG Fr= 1--     -0.0141                -0.0106                -0.0032
 Gamma2 Fr= 1--      1.5173                 0.0749                 0.0463
 Delta2 Fr= 1--      0.4525                 0.2181                 0.0195
 Raman1 Fr= 1--       2.994                 28.342                  6.085
 ROA1   Fr= 1--     160.142                 14.168                  5.069
 CID1   Fr= 1--      53.480                  0.500                  0.833
 Raman2 Fr= 1--       1.031                  2.421                  2.583
 ROA2   Fr= 1--      32.795                  0.053                  0.955
 CID2   Fr= 1--      31.806                  0.022                  0.370
 Raman3 Fr= 1--       2.062                  4.842                  5.166
 ROA3   Fr= 1--     160.142                 14.168                  5.069
 CID3   Fr= 1--      77.657                  2.926                  0.981
 RC180  Fr= 1--       0.377                 -0.658                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.06     0.15   0.14   0.02     0.01  -0.02   0.06
     2   6     0.07  -0.04   0.04    -0.19   0.06   0.03     0.00   0.01  -0.05
     3   6    -0.00   0.09   0.06     0.07  -0.14  -0.04     0.01  -0.01   0.09
     4   6    -0.02   0.08  -0.12     0.03  -0.11  -0.03    -0.01   0.02  -0.04
     5   6     0.04  -0.00   0.12     0.02  -0.07  -0.02     0.00  -0.01   0.02
     6   6     0.06  -0.03  -0.05    -0.04  -0.09  -0.02    -0.01   0.02  -0.10
     7   6    -0.07  -0.06  -0.03    -0.16  -0.06   0.01    -0.02   0.01  -0.01
     8   6    -0.03   0.06  -0.09     0.03   0.08  -0.06     0.02   0.01  -0.02
     9   6    -0.09  -0.00  -0.03     0.09   0.24   0.04    -0.01  -0.02   0.02
    10   1    -0.00  -0.06   0.03     0.19   0.09  -0.02    -0.03   0.08  -0.40
    11   1     0.09   0.07  -0.00    -0.24  -0.07  -0.01     0.04  -0.06   0.31
    12   1     0.12   0.08   0.24    -0.17  -0.19  -0.02    -0.04   0.13  -0.53
    13   1     0.02  -0.01  -0.20     0.15  -0.05  -0.01     0.06  -0.12   0.59
    14   1    -0.08  -0.15   0.03    -0.17  -0.13   0.05    -0.00  -0.04   0.03
    15   6     0.03  -0.07   0.09    -0.03  -0.04   0.04     0.00  -0.01   0.02
    16   1     0.44   0.11  -0.07     0.24   0.09  -0.06     0.04   0.05  -0.01
    17   1    -0.20   0.01   0.37     0.02  -0.21   0.07     0.01  -0.02   0.01
    18   1    -0.27   0.13   0.28     0.02   0.32   0.22    -0.11  -0.06  -0.05
    19   1     0.13  -0.27  -0.03     0.21   0.03   0.05     0.03   0.08  -0.01
    20   1     0.09  -0.05   0.09     0.12  -0.01   0.05     0.05  -0.04   0.06
    21   1     0.03   0.01  -0.01    -0.04   0.15  -0.23    -0.00   0.01  -0.05
    22   1     0.13  -0.10   0.16     0.19  -0.12   0.19     0.03  -0.02   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    908.7120               936.6976               962.1341
 Red. masses --      1.9451                 1.3796                 1.3811
 Frc consts  --      0.9463                 0.7132                 0.7533
 IR Inten    --      0.1868                 0.7735                 0.2647
 RamAct Fr= 1--      1.5882                 0.1398                 1.1759
  Dep-P Fr= 1--      0.7500                 0.4366                 0.3617
  Dep-U Fr= 1--      0.8571                 0.6078                 0.5312
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0099
 Beta2  Fr= 1--      0.2269                 0.0142                 0.1041
 AlphaG Fr= 1--      0.0002                 0.0037                 0.0101
 Gamma2 Fr= 1--     -0.0377                 0.2092                 0.0543
 Delta2 Fr= 1--     -0.1892                -0.0374                 0.2552
 Raman1 Fr= 1--       6.353                  0.559                  4.703
 ROA1   Fr= 1--      -9.673                 18.885                 13.375
 CID1   Fr= 1--      -1.523                 33.779                  2.844
 Raman2 Fr= 1--       2.723                  0.170                  1.249
 ROA2   Fr= 1--       0.609                  5.320                 -0.740
 CID2   Fr= 1--       0.224                 31.313                 -0.592
 Raman3 Fr= 1--       5.445                  0.340                  2.499
 ROA3   Fr= 1--      -9.673                 18.885                 13.375
 CID3   Fr= 1--      -1.776                 55.574                  5.353
 RC180  Fr= 1--       0.714                  0.216                  0.062
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.00  -0.01   0.06    -0.01   0.02  -0.08
     2   6     0.03  -0.00   0.02     0.00  -0.01   0.07     0.02  -0.02   0.07
     3   6    -0.01   0.04  -0.03    -0.01   0.02  -0.11     0.00  -0.01   0.05
     4   6    -0.03   0.03   0.03     0.00  -0.01   0.03     0.01  -0.00   0.01
     5   6    -0.02  -0.03  -0.05     0.00   0.00   0.01    -0.01   0.01  -0.03
     6   6     0.00  -0.00   0.01    -0.01   0.02  -0.09    -0.00   0.01  -0.03
     7   6    -0.07  -0.04  -0.00     0.01   0.01   0.00     0.02   0.01  -0.01
     8   6     0.21   0.08  -0.04    -0.04  -0.01  -0.02     0.02  -0.06  -0.05
     9   6    -0.06  -0.06   0.07     0.01   0.00   0.01    -0.05   0.05   0.06
    10   1     0.01  -0.01  -0.04    -0.04   0.08  -0.34     0.03  -0.10   0.54
    11   1     0.01   0.04  -0.17    -0.04   0.09  -0.40    -0.03   0.11  -0.49
    12   1     0.08   0.01   0.19     0.05  -0.13   0.55    -0.05   0.07  -0.35
    13   1     0.03   0.00  -0.00     0.06  -0.11   0.51     0.02  -0.05   0.26
    14   1    -0.31  -0.13   0.00    -0.03   0.00  -0.00     0.00  -0.13   0.08
    15   6    -0.03  -0.04   0.02     0.02   0.01  -0.01     0.02   0.03   0.01
    16   1    -0.16   0.16  -0.03     0.08   0.02  -0.00     0.09   0.03  -0.03
    17   1     0.32   0.12  -0.35    -0.07  -0.06   0.09     0.03  -0.22  -0.00
    18   1    -0.31  -0.19  -0.14    -0.01  -0.01  -0.01    -0.09   0.03   0.01
    19   1    -0.30   0.25   0.07     0.09   0.03  -0.02    -0.11   0.09   0.06
    20   1     0.04   0.07  -0.04    -0.05  -0.02   0.00     0.01  -0.12   0.10
    21   1    -0.02   0.14  -0.10     0.02  -0.08   0.10     0.01  -0.10   0.02
    22   1     0.17  -0.10   0.22    -0.08   0.04  -0.08    -0.10   0.05  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    963.4952               974.4968              1034.1675
 Red. masses --      1.6491                 2.0352                 1.7264
 Frc consts  --      0.9020                 1.1387                 1.0878
 IR Inten    --      0.5368                 0.6672                 2.2682
 RamAct Fr= 1--      2.6393                 4.5229                 8.1305
  Dep-P Fr= 1--      0.2833                 0.7051                 0.1736
  Dep-U Fr= 1--      0.4415                 0.8271                 0.2958
 Alpha2 Fr= 1--      0.0284                 0.0035                 0.1183
 Beta2  Fr= 1--      0.1942                 0.6235                 0.4009
 AlphaG Fr= 1--     -0.0727                -0.0091                 0.1589
 Gamma2 Fr= 1--      0.9569                -1.1365                -1.0579
 Delta2 Fr= 1--     -0.2488                -0.9723                -0.7187
 Raman1 Fr= 1--      10.557                 18.092                 32.522
 ROA1   Fr= 1--      83.897               -140.220               -124.561
 CID1   Fr= 1--       7.947                 -7.751                 -3.830
 Raman2 Fr= 1--       2.330                  7.482                  4.810
 ROA2   Fr= 1--      24.956                -19.499                -19.640
 CID2   Fr= 1--      10.709                 -2.606                 -4.083
 Raman3 Fr= 1--       4.661                 14.963                  9.621
 ROA3   Fr= 1--      83.897               -140.220               -124.561
 CID3   Fr= 1--      18.001                 -9.371                -12.947
 RC180  Fr= 1--      -0.117                  0.654                 -0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.05     0.03   0.02  -0.01     0.03   0.04   0.01
     2   6     0.02   0.01  -0.06    -0.03   0.01  -0.00     0.00   0.02   0.00
     3   6    -0.01   0.00  -0.03     0.01   0.00   0.00     0.00  -0.03   0.00
     4   6     0.01  -0.00  -0.00    -0.04   0.01   0.02    -0.07   0.05  -0.03
     5   6    -0.01   0.01  -0.02     0.00  -0.00  -0.07    -0.01  -0.02   0.04
     6   6     0.00  -0.00   0.05     0.02  -0.04   0.03     0.02  -0.08  -0.03
     7   6     0.03   0.00  -0.01    -0.08   0.09  -0.10    -0.04   0.13   0.01
     8   6     0.04  -0.11  -0.08    -0.10   0.05  -0.03     0.05  -0.08   0.02
     9   6    -0.08   0.09   0.09     0.09  -0.11   0.05    -0.05   0.03  -0.03
    10   1    -0.07   0.09  -0.31     0.07  -0.02   0.03    -0.01   0.09  -0.01
    11   1     0.06  -0.07   0.37    -0.02  -0.00   0.03     0.02   0.06   0.04
    12   1     0.00  -0.05   0.21     0.02   0.02  -0.03     0.01  -0.02  -0.03
    13   1    -0.05   0.07  -0.31     0.03   0.01  -0.17     0.05  -0.08  -0.02
    14   1     0.03  -0.21   0.13    -0.18   0.05  -0.10    -0.26   0.38  -0.21
    15   6     0.02   0.06   0.00     0.09  -0.03   0.12     0.09  -0.05  -0.00
    16   1     0.15   0.02  -0.05     0.05   0.48   0.07    -0.06  -0.29  -0.03
    17   1     0.05  -0.36  -0.00    -0.12  -0.23   0.13     0.13  -0.20  -0.17
    18   1    -0.17   0.06   0.04     0.11  -0.30  -0.35    -0.09   0.12   0.15
    19   1    -0.15   0.14   0.10     0.04   0.30  -0.02    -0.10  -0.14   0.02
    20   1     0.03  -0.18   0.16     0.01  -0.15   0.18    -0.22   0.16  -0.20
    21   1     0.00  -0.16   0.01     0.08  -0.20   0.26     0.13  -0.11   0.47
    22   1    -0.15   0.08  -0.33    -0.08   0.01  -0.07    -0.11   0.06   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1050.7923              1089.0788              1106.4114
 Red. masses --      2.2062                 1.8019                 1.6694
 Frc consts  --      1.4353                 1.2592                 1.2041
 IR Inten    --      3.2533                 3.2263                 0.9320
 RamAct Fr= 1--     34.7319                 5.8414                 0.2517
  Dep-P Fr= 1--      0.0505                 0.3767                 0.3742
  Dep-U Fr= 1--      0.0961                 0.5472                 0.5446
 Alpha2 Fr= 1--      0.6853                 0.0469                 0.0020
 Beta2  Fr= 1--      0.5562                 0.5327                 0.0229
 AlphaG Fr= 1--      0.0124                -0.0219                 0.0007
 Gamma2 Fr= 1--      0.5708                -0.3861                -0.4581
 Delta2 Fr= 1--      0.2767                 1.3968                -0.3659
 Raman1 Fr= 1--     138.928                 23.366                  1.007
 ROA1   Fr= 1--      63.654                  7.629                -55.685
 CID1   Fr= 1--       0.458                  0.326                -55.301
 Raman2 Fr= 1--       6.675                  6.393                  0.274
 ROA2   Fr= 1--      11.487                -20.442                 -8.067
 CID2   Fr= 1--       1.721                 -3.198                -29.418
 Raman3 Fr= 1--      13.350                 12.786                  0.548
 ROA3   Fr= 1--      63.654                  7.629                -55.685
 CID3   Fr= 1--       4.768                  0.597               -101.535
 RC180  Fr= 1--      -0.808                  0.094                  0.089
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.16  -0.02     0.02   0.02  -0.00     0.01   0.03   0.01
     2   6    -0.16   0.09   0.04    -0.02   0.01   0.00    -0.03   0.03   0.01
     3   6     0.11  -0.07  -0.02     0.01  -0.04   0.01     0.03  -0.07  -0.02
     4   6     0.02   0.02  -0.00    -0.04   0.04  -0.05    -0.05   0.05  -0.00
     5   6     0.03  -0.01  -0.01     0.02   0.03  -0.04     0.02   0.04   0.08
     6   6     0.07   0.11   0.02     0.01  -0.03   0.01     0.02  -0.07  -0.04
     7   6    -0.01   0.02   0.00     0.01  -0.10   0.15    -0.02  -0.07  -0.06
     8   6    -0.01  -0.02  -0.00    -0.01   0.05  -0.03     0.04   0.01   0.07
     9   6    -0.02   0.00   0.00     0.02  -0.03   0.06    -0.03  -0.00  -0.09
    10   1     0.01  -0.30  -0.06     0.00   0.04   0.01    -0.08   0.13   0.02
    11   1    -0.12   0.29   0.08    -0.02   0.02   0.01     0.02   0.17   0.05
    12   1     0.57   0.04  -0.06     0.03  -0.00  -0.10     0.17  -0.05   0.01
    13   1     0.53   0.23  -0.01    -0.02  -0.02  -0.09    -0.01  -0.10   0.04
    14   1    -0.06   0.04  -0.02    -0.31  -0.23   0.15    -0.15  -0.34   0.08
    15   6     0.00  -0.01   0.00     0.05   0.04  -0.12     0.03   0.06   0.03
    16   1     0.01  -0.03  -0.01     0.13  -0.06  -0.05    -0.23   0.22   0.11
    17   1    -0.01  -0.05   0.00    -0.14   0.36   0.19     0.07   0.27  -0.10
    18   1    -0.08   0.00   0.02    -0.21  -0.12  -0.07     0.37   0.09   0.02
    19   1    -0.02  -0.01   0.01     0.29   0.17  -0.05    -0.33  -0.19   0.03
    20   1    -0.02   0.02  -0.02    -0.28   0.10  -0.22     0.02  -0.19   0.18
    21   1     0.01   0.01   0.03     0.07  -0.14   0.30     0.01  -0.17   0.03
    22   1     0.01  -0.00   0.04    -0.24   0.16  -0.14    -0.12   0.07  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1119.8222              1182.2712              1183.3276
 Red. masses --      1.8852                 1.1352                 1.9750
 Frc consts  --      1.3929                 0.9349                 1.6294
 IR Inten    --      1.6742                 0.1317                 1.1567
 RamAct Fr= 1--      1.4460                 5.0688                 1.1952
  Dep-P Fr= 1--      0.4352                 0.4023                 0.3659
  Dep-U Fr= 1--      0.6065                 0.5737                 0.5358
 Alpha2 Fr= 1--      0.0094                 0.0372                 0.0100
 Beta2  Fr= 1--      0.1462                 0.4847                 0.1067
 AlphaG Fr= 1--      0.0100                -0.0307                -0.0106
 Gamma2 Fr= 1--     -0.2395                -0.4364                 0.6850
 Delta2 Fr= 1--      0.0813                -0.0316                 0.2807
 Raman1 Fr= 1--       5.784                 20.275                  4.781
 ROA1   Fr= 1--     -20.393                -42.907                 74.742
 CID1   Fr= 1--      -3.526                 -2.116                 15.633
 Raman2 Fr= 1--       1.754                  5.816                  1.281
 ROA2   Fr= 1--      -6.399                -10.221                 14.194
 CID2   Fr= 1--      -3.648                 -1.757                 11.082
 Raman3 Fr= 1--       3.508                 11.633                  2.562
 ROA3   Fr= 1--     -20.393                -42.907                 74.742
 CID3   Fr= 1--      -5.814                 -3.688                 29.178
 RC180  Fr= 1--       0.213                  0.147                  0.072
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.09  -0.01   0.01
     2   6    -0.00  -0.05  -0.01     0.01   0.06   0.01     0.08   0.01  -0.01
     3   6    -0.06   0.11   0.03    -0.02  -0.02  -0.00     0.07   0.04   0.01
     4   6     0.00  -0.06  -0.04     0.03  -0.01  -0.01     0.13  -0.05  -0.05
     5   6     0.00  -0.09   0.02     0.01   0.00   0.01    -0.09  -0.12   0.01
     6   6     0.01   0.12   0.02    -0.03   0.01   0.00    -0.07   0.01   0.01
     7   6    -0.08  -0.05   0.02    -0.01   0.01   0.01    -0.04  -0.01   0.08
     8   6     0.01   0.05   0.06    -0.00   0.00  -0.00    -0.02   0.07  -0.01
     9   6     0.04   0.04  -0.07    -0.00  -0.00  -0.01     0.05   0.02  -0.02
    10   1     0.29  -0.31  -0.11     0.37  -0.41  -0.13    -0.37   0.28   0.09
    11   1    -0.11  -0.41  -0.06     0.17   0.59   0.11     0.15   0.23   0.04
    12   1    -0.25   0.07   0.03    -0.33  -0.09   0.01     0.37   0.12  -0.03
    13   1     0.29   0.19   0.03    -0.37  -0.08   0.03    -0.28  -0.05   0.03
    14   1    -0.15  -0.08   0.02    -0.08  -0.02   0.01    -0.21  -0.06   0.07
    15   6     0.06   0.04  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.04
    16   1    -0.13   0.07   0.06    -0.01   0.03   0.01     0.01   0.20   0.02
    17   1     0.11  -0.15  -0.13     0.00  -0.04  -0.00     0.06  -0.39  -0.05
    18   1     0.01   0.11   0.10     0.01   0.00   0.01     0.28   0.04  -0.04
    19   1    -0.13  -0.13   0.01    -0.05  -0.01   0.01    -0.11  -0.01   0.02
    20   1    -0.12  -0.07   0.02    -0.01   0.01  -0.01    -0.10   0.07  -0.11
    21   1     0.06  -0.19   0.21     0.00   0.00   0.01     0.02   0.01   0.08
    22   1    -0.19   0.12  -0.20    -0.01   0.00   0.00    -0.05   0.03   0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1191.2683              1218.0960              1231.3432
 Red. masses --      1.3161                 1.4674                 2.0955
 Frc consts  --      1.1004                 1.2828                 1.8719
 IR Inten    --      1.0313                 0.3831                 1.0687
 RamAct Fr= 1--      2.6638                 2.6975                30.5634
  Dep-P Fr= 1--      0.7464                 0.4888                 0.1085
  Dep-U Fr= 1--      0.8548                 0.6566                 0.1958
 Alpha2 Fr= 1--      0.0002                 0.0140                 0.5240
 Beta2  Fr= 1--      0.3795                 0.2952                 0.9976
 AlphaG Fr= 1--      0.0027                -0.0611                -0.0624
 Gamma2 Fr= 1--      0.3292                 0.6907                 0.6318
 Delta2 Fr= 1--     -0.0157                -1.1831                 0.7804
 Raman1 Fr= 1--      10.655                 10.790                122.254
 ROA1   Fr= 1--      31.102                 28.450                 85.623
 CID1   Fr= 1--       2.919                  2.637                  0.700
 Raman2 Fr= 1--       4.554                  3.542                 11.971
 ROA2   Fr= 1--       8.027                 26.042                  8.919
 CID2   Fr= 1--       1.763                  7.352                  0.745
 Raman3 Fr= 1--       9.108                  7.085                 23.941
 ROA3   Fr= 1--      31.102                 28.450                 85.623
 CID3   Fr= 1--       3.415                  4.016                  3.576
 RC180  Fr= 1--       0.710                  0.313                 -0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.03   0.02   0.00    -0.07   0.00   0.01
     2   6     0.00  -0.02  -0.00    -0.04  -0.00   0.00    -0.07  -0.04  -0.00
     3   6    -0.02  -0.01   0.00    -0.01  -0.02  -0.00     0.04  -0.06  -0.01
     4   6     0.03   0.01  -0.02    -0.08   0.01   0.01     0.17  -0.01  -0.04
     5   6    -0.02  -0.00   0.04     0.06   0.06   0.04     0.15   0.11   0.02
     6   6     0.03   0.01  -0.01     0.03  -0.01  -0.01     0.03   0.06   0.01
     7   6     0.04   0.06   0.05     0.02  -0.04   0.09    -0.03   0.04   0.01
     8   6    -0.00  -0.04  -0.08    -0.03   0.04  -0.06    -0.02  -0.01   0.02
     9   6    -0.05   0.02   0.04     0.02  -0.04  -0.03    -0.02  -0.06  -0.04
    10   1     0.05  -0.06  -0.03     0.09  -0.04  -0.02    -0.24   0.17   0.06
    11   1    -0.02  -0.11  -0.01    -0.06  -0.06  -0.00    -0.16  -0.29  -0.04
    12   1    -0.28  -0.07   0.01     0.08   0.01  -0.01    -0.38  -0.17  -0.00
    13   1     0.29   0.07  -0.01    -0.07  -0.04   0.02    -0.33  -0.02   0.04
    14   1    -0.27  -0.09   0.07     0.52   0.10   0.13    -0.46  -0.05  -0.04
    15   6    -0.02  -0.04  -0.02    -0.01  -0.02  -0.06    -0.00  -0.01   0.01
    16   1     0.11   0.14  -0.03     0.05   0.33   0.01    -0.09   0.09   0.05
    17   1    -0.11   0.19   0.13     0.02  -0.42  -0.00    -0.01  -0.08   0.00
    18   1     0.65  -0.01  -0.18    -0.04  -0.03  -0.00    -0.34  -0.05   0.08
    19   1    -0.25   0.05   0.09    -0.51  -0.03   0.11    -0.22  -0.08   0.02
    20   1    -0.01   0.11  -0.11    -0.08   0.11  -0.16     0.00   0.01   0.00
    21   1    -0.00   0.12  -0.02     0.01   0.05   0.05    -0.00   0.04  -0.02
    22   1     0.05  -0.04   0.13    -0.01   0.00   0.10    -0.01  -0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1286.8336              1301.5566              1325.3364
 Red. masses --      1.3434                 2.3558                 1.5021
 Frc consts  --      1.3107                 2.3514                 1.5546
 IR Inten    --      1.4830                 0.2740                 0.4215
 RamAct Fr= 1--      4.0069                 8.5036                 2.2772
  Dep-P Fr= 1--      0.2289                 0.1448                 0.7198
  Dep-U Fr= 1--      0.3725                 0.2529                 0.8371
 Alpha2 Fr= 1--      0.0503                 0.1332                 0.0012
 Beta2  Fr= 1--      0.2488                 0.3585                 0.3177
 AlphaG Fr= 1--     -0.0829                 0.0178                -0.0037
 Gamma2 Fr= 1--      2.5279                -1.3704                 0.4322
 Delta2 Fr= 1--     -0.0195                 0.2853                 0.7958
 Raman1 Fr= 1--      16.028                 34.015                  9.109
 ROA1   Fr= 1--     242.052               -122.429                 66.954
 CID1   Fr= 1--      15.102                 -3.599                  7.350
 Raman2 Fr= 1--       2.985                  4.302                  3.812
 ROA2   Fr= 1--      60.824                -35.172                  4.006
 CID2   Fr= 1--      20.376                 -8.176                  1.051
 Raman3 Fr= 1--       5.970                  8.603                  7.625
 ROA3   Fr= 1--     242.052               -122.429                 66.954
 CID3   Fr= 1--      40.544                -14.231                  8.781
 RC180  Fr= 1--      -0.255                 -0.494                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.01    -0.07   0.05   0.02    -0.02   0.04   0.01
     2   6     0.02   0.01  -0.00    -0.03  -0.09  -0.02    -0.02   0.01   0.00
     3   6    -0.02  -0.03  -0.00     0.10   0.01  -0.01    -0.02   0.02   0.01
     4   6    -0.01   0.09   0.01     0.04  -0.09  -0.01    -0.05  -0.10  -0.01
     5   6    -0.05   0.01  -0.01    -0.07   0.15   0.02     0.06  -0.02  -0.02
     6   6    -0.02  -0.04  -0.00     0.09   0.01  -0.00     0.04   0.04   0.00
     7   6     0.09   0.02   0.01    -0.12  -0.03   0.01     0.00   0.08   0.01
     8   6    -0.02   0.00   0.05     0.07   0.06   0.01     0.03  -0.09   0.01
     9   6    -0.02  -0.00  -0.05    -0.15  -0.05   0.02    -0.06   0.03  -0.01
    10   1    -0.05   0.05   0.02     0.02  -0.04  -0.01     0.18  -0.16  -0.05
    11   1     0.03   0.05   0.00     0.06   0.18   0.03    -0.07  -0.18  -0.03
    12   1    -0.22  -0.08   0.00    -0.27  -0.09   0.01     0.40   0.12  -0.01
    13   1     0.33   0.05  -0.03     0.10   0.01  -0.01    -0.43  -0.08   0.02
    14   1    -0.13  -0.29   0.17     0.40   0.14   0.04    -0.02  -0.17   0.17
    15   6    -0.03  -0.02  -0.02     0.04   0.00  -0.01     0.00  -0.03  -0.01
    16   1    -0.18   0.41   0.15    -0.04  -0.01  -0.02    -0.16   0.46   0.13
    17   1     0.10  -0.40  -0.11     0.17  -0.21  -0.14    -0.01   0.18   0.01
    18   1    -0.18   0.04   0.07     0.36  -0.06  -0.12     0.05   0.06   0.02
    19   1     0.40  -0.10  -0.14     0.51   0.01  -0.17     0.32  -0.06  -0.09
    20   1     0.03   0.08  -0.07    -0.11  -0.03  -0.02    -0.01   0.07  -0.08
    21   1    -0.01   0.08  -0.02     0.03  -0.07   0.08     0.02   0.08   0.04
    22   1     0.06  -0.04   0.06    -0.09   0.06   0.00    -0.01  -0.01   0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1348.3103              1353.5243              1362.6206
 Red. masses --      1.4479                 1.3919                 3.2013
 Frc consts  --      1.5508                 1.5024                 3.5020
 IR Inten    --      0.9234                 2.1239                 4.1432
 RamAct Fr= 1--      0.5167                 7.0509                 8.1557
  Dep-P Fr= 1--      0.4688                 0.6081                 0.0974
  Dep-U Fr= 1--      0.6383                 0.7563                 0.1775
 Alpha2 Fr= 1--      0.0029                 0.0184                 0.1437
 Beta2  Fr= 1--      0.0550                 0.8887                 0.2412
 AlphaG Fr= 1--      0.0073                -0.0474                -0.0236
 Gamma2 Fr= 1--     -0.3597                -1.1619                -0.9105
 Delta2 Fr= 1--     -0.1882                 0.1580                -0.5975
 Raman1 Fr= 1--       2.067                 28.204                 32.623
 ROA1   Fr= 1--     -40.556               -106.487               -106.533
 CID1   Fr= 1--     -19.622                 -3.776                 -3.266
 Raman2 Fr= 1--       0.660                 10.665                  2.895
 ROA2   Fr= 1--      -7.128                -29.150                -17.073
 CID2   Fr= 1--     -10.806                 -2.733                 -5.898
 Raman3 Fr= 1--       1.319                 21.330                  5.789
 ROA3   Fr= 1--     -40.556               -106.487               -106.533
 CID3   Fr= 1--     -30.740                 -4.992                -18.402
 RC180  Fr= 1--       0.277                  0.513                 -0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.02  -0.01  -0.00     0.08  -0.14  -0.04
     2   6     0.01  -0.03  -0.01    -0.00   0.03   0.01     0.02   0.15   0.03
     3   6     0.05   0.02  -0.00    -0.03  -0.01   0.00    -0.12  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.01   0.01  -0.01     0.13   0.14   0.04
     5   6    -0.06   0.00   0.00     0.03  -0.01  -0.00     0.16  -0.07  -0.03
     6   6    -0.02  -0.00   0.00    -0.00  -0.00   0.00    -0.13  -0.02   0.01
     7   6    -0.07  -0.02   0.03     0.06  -0.11   0.08    -0.16  -0.00  -0.01
     8   6     0.03  -0.13  -0.03     0.01   0.00  -0.03     0.04  -0.01  -0.01
     9   6     0.07   0.03  -0.02    -0.06  -0.00   0.00    -0.12  -0.01   0.02
    10   1    -0.10   0.09   0.03     0.04  -0.03  -0.01    -0.25   0.20   0.07
    11   1     0.08   0.18   0.03    -0.04  -0.09  -0.02    -0.11  -0.24  -0.04
    12   1    -0.20  -0.04   0.01     0.10   0.02  -0.02    -0.03  -0.02   0.02
    13   1     0.22   0.06  -0.01    -0.06  -0.02  -0.00     0.01   0.02   0.01
    14   1     0.22   0.29  -0.10    -0.30   0.59  -0.50     0.57   0.04   0.16
    15   6     0.02  -0.00   0.01    -0.03   0.06   0.03     0.05  -0.01  -0.01
    16   1    -0.11   0.55   0.12     0.01   0.28   0.04    -0.08   0.06  -0.00
    17   1    -0.10   0.44   0.09     0.05  -0.15  -0.05     0.00   0.09   0.04
    18   1    -0.29   0.06   0.11     0.17   0.01  -0.03     0.33  -0.02  -0.10
    19   1    -0.08   0.01   0.03     0.19  -0.02  -0.06     0.27  -0.05  -0.07
    20   1    -0.08   0.02  -0.03     0.07  -0.08   0.13    -0.17  -0.02  -0.05
    21   1     0.01   0.02  -0.06    -0.06  -0.07  -0.13     0.04  -0.04   0.05
    22   1    -0.09   0.04  -0.05     0.06  -0.01  -0.13    -0.11   0.07   0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1409.0603              1484.0609              1492.4870
 Red. masses --      1.2192                 1.1113                 1.3594
 Frc consts  --      1.4262                 1.4421                 1.7841
 IR Inten    --      4.2781                 1.1644                 8.7316
 RamAct Fr= 1--      0.5519                10.8966                 3.1404
  Dep-P Fr= 1--      0.6829                 0.5816                 0.5705
  Dep-U Fr= 1--      0.8116                 0.7354                 0.7265
 Alpha2 Fr= 1--      0.0007                 0.0344                 0.0106
 Beta2  Fr= 1--      0.0747                 1.3356                 0.3803
 AlphaG Fr= 1--     -0.0038                -0.0186                -0.0160
 Gamma2 Fr= 1--      0.0302                 0.0812                -2.2749
 Delta2 Fr= 1--      0.1119                 1.0811                 2.4094
 Raman1 Fr= 1--       2.208                 43.586                 12.561
 ROA1   Fr= 1--       6.476                 42.388               -141.286
 CID1   Fr= 1--       2.934                  0.972                -11.248
 Raman2 Fr= 1--       0.896                 16.028                  4.563
 ROA2   Fr= 1--      -0.171                 -6.701                -73.872
 CID2   Fr= 1--      -0.191                 -0.418                -16.189
 Raman3 Fr= 1--       1.792                 32.055                  9.126
 ROA3   Fr= 1--       6.476                 42.388               -141.286
 CID3   Fr= 1--       3.615                  1.322                -15.481
 RC180  Fr= 1--       0.623                  0.471                  0.453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.01   0.01   0.00     0.08  -0.04  -0.02
     2   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.05  -0.06  -0.01
     3   6     0.01   0.00   0.00    -0.02  -0.01   0.00    -0.00   0.05   0.01
     4   6     0.01  -0.00  -0.00     0.02  -0.01  -0.00    -0.04  -0.04  -0.01
     5   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.01  -0.01
     6   6    -0.01   0.00   0.00    -0.01  -0.02  -0.00    -0.02   0.04   0.01
     7   6    -0.01   0.00   0.01    -0.00   0.01  -0.00    -0.01  -0.00   0.00
     8   6     0.01  -0.02  -0.01     0.04   0.01  -0.02    -0.00  -0.00   0.00
     9   6     0.00   0.01   0.00    -0.00  -0.06  -0.03    -0.02  -0.02  -0.00
    10   1    -0.03   0.02   0.01     0.06  -0.05  -0.02    -0.20   0.25   0.07
    11   1     0.01   0.02   0.00     0.00  -0.04  -0.01     0.05   0.29   0.06
    12   1    -0.05  -0.01  -0.00     0.08   0.01  -0.01    -0.05   0.05   0.02
    13   1     0.01   0.01   0.00     0.07   0.00  -0.00     0.02   0.06   0.01
    14   1     0.02   0.01   0.01    -0.01  -0.01   0.01    -0.01   0.01  -0.01
    15   6    -0.05   0.06  -0.11    -0.00   0.01   0.01    -0.04  -0.03   0.00
    16   1    -0.05   0.06   0.01    -0.38  -0.07  -0.04     0.04  -0.00   0.00
    17   1    -0.03   0.04   0.05    -0.11  -0.10   0.36     0.01   0.02  -0.04
    18   1    -0.02  -0.01  -0.02     0.10   0.23   0.48     0.09   0.08   0.15
    19   1    -0.00  -0.03   0.01    -0.03   0.53  -0.11     0.02   0.17  -0.04
    20   1     0.28  -0.40   0.28    -0.08   0.05  -0.04     0.52   0.27  -0.07
    21   1    -0.00  -0.25   0.51    -0.03  -0.18  -0.05     0.04   0.22   0.38
    22   1     0.34  -0.04   0.45     0.15  -0.06  -0.01    -0.02  -0.07  -0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1496.6105              1500.8527              1503.6563
 Red. masses --      1.2529                 1.2414                 1.1328
 Frc consts  --      1.6534                 1.6475                 1.5091
 IR Inten    --      3.5788                 5.7392                 1.6650
 RamAct Fr= 1--      8.6272                 2.2844                 5.1493
  Dep-P Fr= 1--      0.6978                 0.4955                 0.3725
  Dep-U Fr= 1--      0.8220                 0.6627                 0.5428
 Alpha2 Fr= 1--      0.0079                 0.0115                 0.0420
 Beta2  Fr= 1--      1.1819                 0.2523                 0.4659
 AlphaG Fr= 1--      0.0196                -0.0206                -0.0408
 Gamma2 Fr= 1--      0.1259                 1.9184                 0.8150
 Delta2 Fr= 1--     -0.5954                 0.1195                -3.5034
 Raman1 Fr= 1--      34.509                  9.138                 20.597
 ROA1   Fr= 1--      -6.962                187.996                -33.872
 CID1   Fr= 1--      -0.202                 20.574                 -1.644
 Raman2 Fr= 1--      14.183                  3.028                  5.591
 ROA2   Fr= 1--       7.786                 45.086                 47.586
 CID2   Fr= 1--       0.549                 14.891                  8.512
 Raman3 Fr= 1--      28.366                  6.055                 11.181
 ROA3   Fr= 1--      -6.962                187.996                -33.872
 CID3   Fr= 1--      -0.245                 31.046                 -3.029
 RC180  Fr= 1--       0.644                  0.325                  0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.01    -0.06   0.01   0.01     0.03  -0.02  -0.01
     2   6     0.05   0.06   0.01     0.03   0.06   0.01    -0.02  -0.02  -0.00
     3   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     4   6     0.05   0.02   0.00     0.03   0.04   0.01    -0.02  -0.01  -0.00
     5   6    -0.04   0.02   0.01    -0.05  -0.01   0.00     0.03  -0.00  -0.01
     6   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     7   6    -0.01  -0.02  -0.00    -0.04  -0.00   0.01     0.01   0.02   0.00
     8   6    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.06  -0.02   0.03
     9   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.01  -0.04  -0.01
    10   1     0.15  -0.19  -0.06     0.09  -0.16  -0.04    -0.07   0.09   0.03
    11   1    -0.03  -0.23  -0.04    -0.06  -0.25  -0.05     0.01   0.09   0.02
    12   1     0.08  -0.03  -0.01    -0.05  -0.05  -0.01    -0.02   0.02   0.00
    13   1     0.03  -0.04  -0.01    -0.08  -0.06  -0.01    -0.01   0.02   0.01
    14   1     0.02   0.04  -0.04     0.10  -0.00   0.05    -0.02  -0.04   0.04
    15   6    -0.00  -0.03  -0.03    -0.03   0.01   0.02     0.01   0.02  -0.01
    16   1     0.18   0.03   0.02     0.23   0.06   0.03     0.50   0.10   0.05
    17   1     0.05   0.05  -0.17     0.06   0.09  -0.21     0.13   0.13  -0.48
    18   1     0.02   0.09   0.22    -0.01   0.00   0.01     0.09   0.14   0.30
    19   1    -0.02   0.24  -0.05     0.00   0.01   0.00    -0.00   0.33  -0.07
    20   1     0.33  -0.15   0.14     0.18   0.38  -0.19    -0.27  -0.12   0.02
    21   1     0.08   0.52   0.22    -0.03  -0.34   0.21    -0.03  -0.17  -0.18
    22   1    -0.40   0.17   0.04     0.40  -0.24  -0.37     0.08   0.01   0.20
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1517.2297              1628.6253              1650.3698
 Red. masses --      2.3418                 6.1958                 6.3413
 Frc consts  --      3.1762                 9.6826                10.1764
 IR Inten    --     17.5775                 0.8507                 0.8250
 RamAct Fr= 1--      1.4404                13.1020                22.0273
  Dep-P Fr= 1--      0.5364                 0.6658                 0.7448
  Dep-U Fr= 1--      0.6982                 0.7994                 0.8537
 Alpha2 Fr= 1--      0.0059                 0.0196                 0.0020
 Beta2  Fr= 1--      0.1676                 1.7456                 3.1342
 AlphaG Fr= 1--     -0.0266                -0.0566                -0.0026
 Gamma2 Fr= 1--     -1.9935                 0.8304                -0.9608
 Delta2 Fr= 1--      0.4218                -1.1907                 1.1864
 Raman1 Fr= 1--       5.762                 52.408                 88.109
 ROA1   Fr= 1--    -177.882                 41.615                -54.274
 CID1   Fr= 1--     -30.873                  0.794                 -0.616
 Raman2 Fr= 1--       2.012                 20.948                 37.610
 ROA2   Fr= 1--     -51.219                 29.455                -32.550
 CID2   Fr= 1--     -25.463                  1.406                 -0.865
 Raman3 Fr= 1--       4.023                 41.895                 75.220
 ROA3   Fr= 1--    -177.882                 41.615                -54.274
 CID3   Fr= 1--     -44.216                  0.993                 -0.722
 RC180  Fr= 1--       0.396                  0.599                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.01     0.15  -0.29  -0.08     0.19  -0.02  -0.02
     2   6    -0.06   0.05   0.02     0.00   0.32   0.07    -0.16  -0.11  -0.01
     3   6     0.16   0.04  -0.01    -0.00   0.16   0.03    -0.34  -0.09   0.01
     4   6    -0.11   0.11   0.04    -0.03  -0.30  -0.06     0.25   0.14   0.01
     5   6    -0.05  -0.16  -0.03    -0.17   0.25   0.07    -0.28  -0.00   0.03
     6   6     0.16   0.04  -0.01     0.08  -0.14  -0.04     0.34   0.08  -0.02
     7   6     0.03  -0.03  -0.01     0.02   0.03   0.00    -0.04  -0.02   0.00
     8   6     0.01   0.00  -0.01     0.02   0.00   0.00     0.00  -0.01  -0.00
     9   6     0.00   0.01  -0.00     0.03  -0.01  -0.01     0.04   0.00  -0.00
    10   1    -0.21   0.10   0.04    -0.36   0.23   0.09    -0.02   0.21   0.05
    11   1    -0.14  -0.19  -0.03    -0.22  -0.37  -0.06    -0.07   0.20   0.05
    12   1    -0.52  -0.12   0.03    -0.12   0.15   0.04     0.44   0.09  -0.02
    13   1    -0.51  -0.13   0.02    -0.05  -0.19  -0.04    -0.43  -0.12   0.02
    14   1     0.10   0.02  -0.02    -0.16  -0.02  -0.01     0.07   0.03  -0.01
    15   6     0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
    16   1    -0.13  -0.02  -0.02    -0.02  -0.01   0.00    -0.01   0.03   0.01
    17   1    -0.04  -0.05   0.13     0.02   0.00  -0.00    -0.01   0.03   0.01
    18   1     0.14   0.11   0.14    -0.16  -0.06  -0.06    -0.07   0.00   0.02
    19   1     0.06   0.18  -0.04    -0.06  -0.08   0.03    -0.01   0.02  -0.00
    20   1    -0.03  -0.09   0.05    -0.01  -0.01   0.01     0.04  -0.00   0.00
    21   1     0.02   0.12  -0.05    -0.01  -0.00  -0.02     0.00  -0.01   0.06
    22   1    -0.13   0.07   0.07     0.01  -0.00   0.03     0.01  -0.00  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3017.7845              3026.5037              3031.6622
 Red. masses --      1.0695                 1.0359                 1.0798
 Frc consts  --      5.7387                 5.5903                 5.8471
 IR Inten    --     26.6820                31.5739                 7.1691
 RamAct Fr= 1--    117.9938               213.6282                61.1087
  Dep-P Fr= 1--      0.2135                 0.0154                 0.6120
  Dep-U Fr= 1--      0.3519                 0.0303                 0.7593
 Alpha2 Fr= 1--      1.5457                 4.5793                 0.1550
 Beta2  Fr= 1--      6.9196                 1.0800                 7.7337
 AlphaG Fr= 1--     -0.4701                 0.0169                -0.4731
 Gamma2 Fr= 1--     -3.0915                -2.1818                -4.5917
 Delta2 Fr= 1--     -6.3227                 0.0518                -3.9736
 Raman1 Fr= 1--     471.975                854.513                244.435
 ROA1   Fr= 1--    -499.110               -207.794               -567.962
 CID1   Fr= 1--      -1.057                 -0.243                 -2.324
 Raman2 Fr= 1--      83.035                 12.960                 92.804
 ROA2   Fr= 1--     -23.614                -52.778                -78.413
 CID2   Fr= 1--      -0.284                 -4.072                 -0.845
 Raman3 Fr= 1--     166.071                 25.920                185.609
 ROA3   Fr= 1--    -499.110               -207.794               -567.962
 CID3   Fr= 1--      -3.005                 -8.017                 -3.060
 RC180  Fr= 1--      -0.296                 -0.939                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.01     0.02  -0.04  -0.06
     8   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.01  -0.01   0.02
     9   6    -0.02  -0.03  -0.06    -0.00  -0.01  -0.01     0.00   0.01   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    13   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.02   0.05   0.08     0.02  -0.05  -0.08    -0.19   0.48   0.71
    15   6     0.00  -0.00   0.01    -0.02   0.01  -0.04    -0.01   0.01   0.00
    16   1     0.00   0.02  -0.10     0.00  -0.01   0.06    -0.00   0.08  -0.36
    17   1    -0.06  -0.01  -0.02    -0.07  -0.01  -0.03     0.15   0.02   0.07
    18   1    -0.03   0.20  -0.12    -0.01   0.05  -0.03     0.01  -0.08   0.04
    19   1     0.24   0.15   0.90     0.04   0.02   0.15    -0.02  -0.01  -0.08
    20   1     0.02  -0.07  -0.10    -0.11   0.33   0.49     0.01  -0.02  -0.03
    21   1    -0.08   0.01   0.01     0.58  -0.06  -0.07     0.16  -0.01  -0.02
    22   1     0.03   0.07  -0.01    -0.20  -0.45   0.06    -0.06  -0.12   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3048.9135              3071.0655              3089.6775
 Red. masses --      1.0680                 1.0892                 1.1042
 Frc consts  --      5.8492                 6.0525                 6.2104
 IR Inten    --     39.8312                32.9652                27.1411
 RamAct Fr= 1--    169.6312               158.0260                62.9527
  Dep-P Fr= 1--      0.1220                 0.1690                 0.6727
  Dep-U Fr= 1--      0.2175                 0.2891                 0.8043
 Alpha2 Fr= 1--      2.8130                 2.3271                 0.0862
 Beta2  Fr= 1--      6.1493                 7.6153                 8.4390
 AlphaG Fr= 1--     -2.0694                 1.9216                -0.0853
 Gamma2 Fr= 1--      2.1475                15.7090               -15.6051
 Delta2 Fr= 1--     11.2197                 8.4115               -13.1233
 Raman1 Fr= 1--     678.525                632.104                251.811
 ROA1   Fr= 1--     565.190               1777.230              -1918.036
 CID1   Fr= 1--       0.833                  2.812                 -7.617
 Raman2 Fr= 1--      73.792                 91.384                101.269
 ROA2   Fr= 1--     -38.218                309.723               -269.537
 CID2   Fr= 1--      -0.518                  3.389                 -2.662
 Raman3 Fr= 1--     147.583                182.768                202.537
 ROA3   Fr= 1--     565.190               1777.230              -1918.036
 CID3   Fr= 1--       3.830                  9.724                 -9.470
 RC180  Fr= 1--      -0.565                 -0.422                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.01  -0.02  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.04   0.02  -0.05    -0.03  -0.01  -0.00    -0.05   0.00  -0.06
     9   6     0.00  -0.02   0.01     0.01  -0.06   0.05    -0.00   0.01  -0.02
    10   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    14   1    -0.08   0.22   0.32     0.01  -0.02  -0.02    -0.01   0.01   0.02
    15   6    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.02   0.03   0.00
    16   1     0.00  -0.16   0.72    -0.00   0.02  -0.09    -0.01  -0.11   0.48
    17   1    -0.42  -0.06  -0.18     0.34   0.05   0.14     0.66   0.09   0.25
    18   1    -0.02   0.24  -0.12    -0.09   0.80  -0.40     0.02  -0.19   0.09
    19   1    -0.02  -0.02  -0.05    -0.05  -0.05  -0.17     0.04   0.03   0.14
    20   1     0.02  -0.06  -0.09    -0.01   0.03   0.04     0.03  -0.08  -0.13
    21   1     0.04  -0.00  -0.00    -0.04   0.00   0.00    -0.13   0.02   0.02
    22   1    -0.01  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.34   0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9155              3095.2437              3159.2040
 Red. masses --      1.1019                 1.1020                 1.0859
 Frc consts  --      6.1986                 6.2202                 6.3854
 IR Inten    --     46.9860                37.5166                 8.1638
 RamAct Fr= 1--    101.8512                84.2138                16.8042
  Dep-P Fr= 1--      0.4744                 0.7499                 0.6933
  Dep-U Fr= 1--      0.6435                 0.8571                 0.8189
 Alpha2 Fr= 1--      0.5641                 0.0001                 0.0167
 Beta2  Fr= 1--     10.9239                12.0298                 2.2935
 AlphaG Fr= 1--      0.2563                 0.0003                 0.0329
 Gamma2 Fr= 1--     13.3278                -5.6931                 0.7563
 Delta2 Fr= 1--      8.7257                -3.3825                 0.4967
 Raman1 Fr= 1--     407.405                336.855                 67.217
 ROA1   Fr= 1--    1558.692               -654.776                 88.503
 CID1   Fr= 1--       3.826                 -1.944                  1.317
 Raman2 Fr= 1--     131.087                144.357                 27.522
 ROA2   Fr= 1--     250.061               -109.573                 14.179
 CID2   Fr= 1--       1.908                 -0.759                  0.515
 Raman3 Fr= 1--     262.175                288.714                 55.043
 ROA3   Fr= 1--    1558.692               -654.776                 88.503
 CID3   Fr= 1--       5.945                 -2.268                  1.608
 RC180  Fr= 1--       0.287                  0.714                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03   0.03   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03   0.01   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.05  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.04  -0.01
     7   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.03   0.00  -0.03     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.33  -0.31  -0.03
    11   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.36  -0.10  -0.06
    12   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.14   0.64   0.15
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.10   0.42   0.10
    14   1     0.04  -0.10  -0.14    -0.02   0.06   0.09    -0.00   0.00   0.01
    15   6    -0.07   0.03   0.05    -0.04  -0.07  -0.01    -0.00  -0.00  -0.00
    16   1     0.00   0.01  -0.03    -0.01  -0.05   0.22    -0.00   0.00  -0.00
    17   1     0.06   0.01   0.02     0.31   0.05   0.12    -0.00  -0.00  -0.00
    18   1    -0.00   0.03  -0.02     0.01  -0.08   0.04    -0.00   0.01  -0.00
    19   1    -0.01  -0.00  -0.02     0.02   0.01   0.07     0.00   0.00   0.00
    20   1     0.11  -0.37  -0.55    -0.08   0.19   0.30    -0.00   0.00   0.00
    21   1     0.71  -0.06  -0.07     0.29  -0.05  -0.04     0.00  -0.00  -0.00
    22   1     0.01   0.06   0.01     0.31   0.69  -0.10     0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3164.0522              3176.7425              3190.6733
 Red. masses --      1.0884                 1.0918                 1.0965
 Frc consts  --      6.4197                 6.4914                 6.5769
 IR Inten    --      1.6939                26.1423                22.3365
 RamAct Fr= 1--    145.8955                66.6780               283.5422
  Dep-P Fr= 1--      0.5006                 0.7482                 0.1030
  Dep-U Fr= 1--      0.6672                 0.8560                 0.1868
 Alpha2 Fr= 1--      0.7183                 0.0021                 4.9279
 Beta2  Fr= 1--     16.2243                 9.5122                 8.8266
 AlphaG Fr= 1--      0.1333                -0.0103                 0.3660
 Gamma2 Fr= 1--     -0.4641                 0.5577                 1.3123
 Delta2 Fr= 1--     -0.8328                -3.2116                 2.7609
 Raman1 Fr= 1--     583.582                266.712               1134.169
 ROA1   Fr= 1--     -71.201                -49.231                214.334
 CID1   Fr= 1--      -0.122                 -0.185                  0.189
 Raman2 Fr= 1--     194.692                114.146                105.919
 ROA2   Fr= 1--      -4.476                 39.077                  9.408
 CID2   Fr= 1--      -0.023                  0.342                  0.089
 Raman3 Fr= 1--     389.384                228.292                211.838
 ROA3   Fr= 1--     -71.201                -49.231                214.334
 CID3   Fr= 1--      -0.183                 -0.216                  1.012
 RC180  Fr= 1--       0.334                  0.712                 -0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04   0.03   0.00    -0.04  -0.04  -0.00
     2   6    -0.03   0.01   0.00    -0.05   0.01   0.01    -0.06   0.02   0.01
     3   6    -0.01   0.05   0.01    -0.01   0.03   0.01     0.01  -0.02  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.01   0.04   0.01    -0.00   0.02   0.01
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   1     0.10   0.10   0.01    -0.43  -0.39  -0.04     0.48   0.45   0.05
    11   1     0.32  -0.09  -0.05     0.52  -0.14  -0.08     0.64  -0.18  -0.10
    12   1     0.12  -0.54  -0.13     0.09  -0.38  -0.09    -0.05   0.22   0.05
    13   1    -0.17   0.69   0.16     0.10  -0.43  -0.10     0.06  -0.24  -0.06
    14   1     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   725.472361508.552942023.28571
           X            0.99997  -0.00668   0.00349
           Y            0.00669   0.99997  -0.00341
           Z           -0.00346   0.00343   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11939     0.05742     0.04281
 Rotational constants (GHZ):           2.48768     1.19634     0.89199
 Zero-point vibrational energy     504546.9 (Joules/Mol)
                                  120.58960 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    152.56   189.99   305.52   354.23   418.11
          (Kelvin)            525.67   594.26   642.83   771.30   799.00
                              862.74   962.02  1063.81  1098.12  1127.99
                             1133.64  1226.75  1265.71  1307.43  1347.70
                             1384.30  1386.25  1402.08  1487.94  1511.86
                             1566.94  1591.88  1611.17  1701.02  1702.54
                             1713.97  1752.57  1771.63  1851.47  1872.65
                             1906.86  1939.92  1947.42  1960.51  2027.32
                             2135.23  2147.36  2153.29  2159.39  2163.43
                             2182.96  2343.23  2374.51  4341.92  4354.46
                             4361.89  4386.71  4418.58  4445.36  4445.70
                             4453.37  4545.39  4552.37  4570.62  4590.67
 
 Zero-point correction=                           0.192172 (Hartree/Particle)
 Thermal correction to Energy=                    0.200469
 Thermal correction to Enthalpy=                  0.201413
 Thermal correction to Gibbs Free Energy=         0.159320
 Sum of electronic and zero-point Energies=           -388.291447
 Sum of electronic and thermal Energies=              -388.283150
 Sum of electronic and thermal Enthalpies=            -388.282206
 Sum of electronic and thermal Free Energies=         -388.324299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.796             33.754             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.183
 Vibrational            124.019             27.792             18.862
 Vibration     1          0.605              1.944              3.340
 Vibration     2          0.612              1.921              2.916
 Vibration     3          0.643              1.822              2.023
 Vibration     4          0.661              1.769              1.758
 Vibration     5          0.687              1.691              1.470
 Vibration     6          0.739              1.544              1.099
 Vibration     7          0.777              1.442              0.916
 Vibration     8          0.806              1.368              0.806
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.911              1.128              0.533
 Vibration    11          0.958              1.033              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.522369D-73        -73.282023       -168.738093
 Total V=0       0.129054D+16         15.110772         34.793839
 Vib (Bot)       0.164337D-86        -86.784266       -199.828156
 Vib (Bot)    1  0.193311D+01          0.286256          0.659129
 Vib (Bot)    2  0.154301D+01          0.188369          0.433736
 Vib (Bot)    3  0.934438D+00         -0.029449         -0.067810
 Vib (Bot)    4  0.794157D+00         -0.100094         -0.230474
 Vib (Bot)    5  0.657839D+00         -0.181881         -0.418796
 Vib (Bot)    6  0.499876D+00         -0.301137         -0.693394
 Vib (Bot)    7  0.427378D+00         -0.369188         -0.850086
 Vib (Bot)    8  0.384823D+00         -0.414739         -0.954973
 Vib (Bot)    9  0.296636D+00         -0.527776         -1.215248
 Vib (Bot)   10  0.281144D+00         -0.551072         -1.268890
 Vib (Bot)   11  0.249113D+00         -0.603604         -1.389850
 Vib (V=0)       0.406003D+02          1.608529          3.703776
 Vib (V=0)    1  0.249672D+01          0.397370          0.914979
 Vib (V=0)    2  0.212200D+01          0.326745          0.752359
 Vib (V=0)    3  0.155980D+01          0.193069          0.444557
 Vib (V=0)    4  0.143845D+01          0.157894          0.363565
 Vib (V=0)    5  0.132629D+01          0.122638          0.282384
 Vib (V=0)    6  0.120702D+01          0.081714          0.188154
 Vib (V=0)    7  0.115776D+01          0.063620          0.146490
 Vib (V=0)    8  0.113094D+01          0.053441          0.123051
 Vib (V=0)    9  0.108137D+01          0.033975          0.078230
 Vib (V=0)   10  0.107362D+01          0.030851          0.071038
 Vib (V=0)   11  0.105862D+01          0.024740          0.056967
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.532678D+06          5.726465         13.185673
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 333333333333                                                     11111111111111111111 11111                                         
 111100000000                                                     66555444433333222111 11000999998 87777  6  655   44 3  2 22  11    
 976599974321                                                     52100998065420831988 20853766308 58863  6  053   41 6  9 41  30    
 174950019278                                                     09741724934852718132 06914432790 38439  9  056   73 5  1 62  26    
 
 XXXXXXXXXXXX                                                     XXXXXXXXXXXXXXXXXXXX XXXXXXXXXX  XXXXX  X  XXX   XX X  X  X  X     
 XX XXXXXXXXX                                                       X XXX XX                         XXX           X                 
 XX XXXXXXXXX                                                       X   X                             XX           X                 
 XX  XXXXX XX                                                       X   X                             XX                             
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
  X  XXXXX XX                                                                                         X                              
     XXXXX X                                                                                          X                              
     XX XX X                                                                                          X                              
     XX XX                                                                                            X                              
     XX  X                                                                                            X                              
     XX  X                                                                                            X                              
      X  X                                                                                            X                              
      X                                                                                               X                              
      X                                                                                               X                              
      X                                                                                                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000176   -0.000007274    0.000004377
      2        6           0.000008375   -0.000001666    0.000004004
      3        6          -0.000003316   -0.000002474    0.000002029
      4        6          -0.000006746    0.000019656   -0.000006706
      5        6          -0.000003354    0.000011821   -0.000011281
      6        6          -0.000003151   -0.000005708    0.000001043
      7        6          -0.000000539    0.000005637   -0.000015301
      8        6           0.000001566    0.000001599    0.000009947
      9        6           0.000004447   -0.000008549    0.000008247
     10        1           0.000000267    0.000000763    0.000000439
     11        1           0.000000010   -0.000000731   -0.000000503
     12        1          -0.000000227   -0.000001079   -0.000000359
     13        1          -0.000000236   -0.000000580   -0.000001319
     14        1           0.000000999   -0.000000119    0.000000321
     15        6           0.000000368   -0.000001152    0.000002625
     16        1           0.000006670    0.000001054    0.000000142
     17        1          -0.000005114   -0.000007381   -0.000000162
     18        1           0.000000950    0.000000875    0.000002638
     19        1          -0.000005898   -0.000002005   -0.000005927
     20        1           0.000003422   -0.000004208    0.000005303
     21        1           0.000003465    0.000001757    0.000001758
     22        1          -0.000002134   -0.000000236   -0.000001314
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000019656 RMS     0.000005248
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143150D+03  0.169456D+01 -0.241088D+01
      2   0.169456D+01  0.121872D+03  0.526769D+01
      3  -0.241088D+01  0.526769D+01  0.816541D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.265290D+01 -0.208877D+01  0.242592D+01
      2   0.985636D+01 -0.143456D+02  0.133304D+02
      3   0.140101D+01  0.332212D+02  0.117910D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.809745D+02 -0.120419D+02  0.854300D+01
      2   0.368084D+02  0.456591D+01 -0.561063D+01
      3   0.441661D+02  0.747602D+01 -0.293237D+01
      4  -0.205293D+02 -0.370771D+02 -0.305362D+02
      5   0.210714D+02 -0.308473D+02  0.370144D+02
      6  -0.136081D+02  0.635030D+01 -0.195221D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.126196D+01 -0.153876D+01 -0.611471D+00 -0.453922D+01  0.258984D+00
      2  -0.153876D+01 -0.247623D+01 -0.733345D+00  0.258984D+00 -0.227101D+01
      3  -0.611471D+00 -0.733345D+00 -0.178768D+01  0.112497D+01  0.860576D+00
                 6             7             8             9            10 
      1   0.112497D+01 -0.165835D+01  0.669080D+00 -0.383220D+01 -0.468893D+01
      2   0.860576D+00  0.669080D+00  0.127841D+01 -0.308307D+01  0.131489D+01
      3  -0.141741D+01 -0.383220D+01 -0.308307D+01 -0.670956D+00 -0.407215D+00
                11            12            13            14            15 
      1   0.131489D+01 -0.407215D+00  0.215964D+01  0.165146D+01  0.122194D+01
      2  -0.255309D+01 -0.125502D+00  0.165146D+01  0.184680D+01 -0.564689D+00
      3  -0.125502D+00 -0.199334D+01  0.122194D+01 -0.564689D+00  0.330503D+00
                16            17            18            19            20 
      1   0.876725D-01  0.143199D+01 -0.493057D+01 -0.972225D+00  0.381037D+01
      2   0.143199D+01  0.272399D+00  0.111964D+01  0.381037D+01  0.120307D+01
      3  -0.493057D+01  0.111964D+01  0.145701D+01  0.498927D+00 -0.232374D+00
                21            22            23            24            25 
      1   0.498927D+00 -0.506083D+01  0.852214D+00 -0.614952D-01 -0.711252D+00
      2  -0.232374D+00  0.852214D+00 -0.218303D+01  0.951393D+00 -0.101747D+01
      3   0.379579D+00 -0.614952D-01  0.951393D+00 -0.143272D+01 -0.239748D+00
                26            27            28            29            30 
      1  -0.101747D+01 -0.239748D+00  0.134034D+02 -0.407315D+01 -0.332858D+00
      2   0.119725D+01 -0.357900D+01 -0.407315D+01  0.442948D+01  0.233986D+00
      3  -0.357900D+01 -0.255472D+01 -0.332858D+00  0.233986D+00  0.145723D+01
                31            32            33            34            35 
      1  -0.848207D+01 -0.198205D+01 -0.573013D+00 -0.211616D+01 -0.116217D+01
      2  -0.198205D+01 -0.394795D+00  0.374585D-01 -0.116217D+01 -0.529368D+00
      3  -0.573013D+00  0.374585D-01 -0.180001D+00  0.327201D+01 -0.155772D+01
                36            37            38            39            40 
      1   0.327201D+01  0.294919D+01  0.389370D+01  0.740790D+00  0.122412D+02
      2  -0.155772D+01  0.389370D+01  0.635427D+01  0.134951D+01  0.306443D+01
      3  -0.147567D+01  0.740790D+00  0.134951D+01  0.134213D+01  0.665231D-01
                41            42            43            44            45 
      1   0.306443D+01  0.665231D-01  0.294668D+01  0.277214D+00  0.224042D+01
      2   0.475161D+01 -0.386890D+00  0.277214D+00 -0.115099D+01  0.239608D+01
      3  -0.386890D+00  0.929027D+00  0.224042D+01  0.239608D+01  0.409299D+00
                46            47            48            49            50 
      1   0.123093D+01 -0.331718D+01 -0.431832D+00  0.473656D+01 -0.565308D+00
      2  -0.331718D+01 -0.278260D+01  0.427678D+00 -0.565308D+00  0.137326D+01
      3  -0.431832D+00  0.427678D+00 -0.102502D-02  0.158309D+00 -0.751066D+00
                51            52            53            54            55 
      1   0.158309D+00  0.367010D+00  0.102734D+01 -0.180386D+01 -0.288184D+01
      2  -0.751066D+00  0.102734D+01 -0.768233D+00  0.351249D+01  0.268359D+01
      3   0.143816D+01 -0.180386D+01  0.351249D+01  0.236103D+01 -0.894290D-01
                56            57            58            59            60 
      1   0.268359D+01 -0.894290D-01  0.411681D+01 -0.403527D+01  0.557684D+00
      2  -0.289178D+01  0.591700D+00 -0.403527D+01 -0.174287D+01  0.163308D+01
      3   0.591700D+00 -0.203095D+01  0.557684D+00  0.163308D+01  0.318036D+01
                61            62            63            64            65 
      1  -0.189110D+01  0.105052D+01 -0.429450D+01 -0.590623D+01 -0.190579D+01
      2   0.105052D+01  0.848062D+00  0.416531D+01 -0.190579D+01  0.166736D+01
      3  -0.429450D+01  0.416531D+01  0.167070D+01 -0.228832D+01  0.189722D+00
                66            67            68            69            70 
      1  -0.228832D+01 -0.183856D+01  0.161984D+01  0.349454D+00 -0.373336D+01
      2   0.189722D+00  0.161984D+01  0.291226D+01 -0.131478D+01  0.116026D-02
      3   0.487438D+00  0.349454D+00 -0.131478D+01 -0.143375D+01 -0.328796D+00
                71            72            73            74            75 
      1   0.116026D-02 -0.328796D+00 -0.202948D+01 -0.325862D+00 -0.235438D+00
      2  -0.359077D+00 -0.213494D+01 -0.325862D+00 -0.193707D+01 -0.172056D+01
      3  -0.213494D+01  0.544792D+01 -0.235438D+00 -0.172056D+01 -0.161543D+01
                76            77            78            79            80 
      1  -0.816165D+00 -0.350820D+01 -0.128781D+01 -0.176146D+01 -0.262739D+01
      2  -0.350820D+01 -0.747060D+01  0.163007D+01 -0.262739D+01  0.163146D+01
      3  -0.128781D+01  0.163007D+01 -0.107339D+01 -0.319967D+01 -0.296915D+01
                81            82            83            84            85 
      1  -0.319967D+01 -0.716523D+01 -0.440281D+01 -0.387239D+00 -0.430345D+01
      2  -0.296915D+01 -0.440281D+01 -0.336999D+01 -0.215567D+00 -0.423876D+01
      3  -0.423633D+01 -0.387239D+00 -0.215567D+00 -0.706013D+00 -0.647067D+00
                86            87            88            89            90 
      1  -0.423876D+01 -0.647067D+00 -0.262190D+00 -0.476975D+00 -0.400717D-01
      2  -0.487855D+01 -0.578916D+00 -0.476975D+00 -0.798429D+00 -0.959150D-01
      3  -0.578916D+00 -0.708237D+00 -0.400717D-01 -0.959150D-01 -0.961468D-01
                91            92            93            94            95 
      1  -0.123084D+02  0.234983D+01  0.150984D+01  0.239485D+01 -0.201558D+01
      2   0.234983D+01 -0.120458D+01 -0.268321D+00 -0.201558D+01  0.102798D+01
      3   0.150984D+01 -0.268321D+00 -0.109966D+01 -0.624121D+00  0.325256D+00
                96            97            98            99           100 
      1  -0.624121D+00  0.166615D+01 -0.631159D+00 -0.215402D+00  0.541333D+00
      2   0.325256D+00 -0.631159D+00  0.280932D+00  0.101229D+00 -0.135320D+01
      3   0.349192D+00 -0.215402D+00  0.101229D+00  0.223214D+00 -0.314493D+00
               101           102           103           104           105 
      1  -0.135320D+01 -0.314493D+00 -0.988170D+00  0.735963D+00  0.139893D+00
      2   0.125627D+01  0.411959D+00  0.735963D+00 -0.963286D+01 -0.211737D+01
      3   0.411959D+00  0.258945D+00  0.139893D+00 -0.211737D+01 -0.139452D+01
               106           107           108           109           110 
      1  -0.318886D+00  0.412159D+00  0.526561D-02 -0.136284D+01  0.186539D+01
      2   0.412159D+00 -0.228965D+01 -0.539293D+00  0.186539D+01 -0.185007D+01
      3   0.526561D-02 -0.539293D+00 -0.383336D+00  0.484878D+00 -0.489884D+00
               111           112           113           114           115 
      1   0.484878D+00  0.171900D+01 -0.278490D+01 -0.621286D+00  0.444267D+00
      2  -0.489884D+00 -0.278490D+01  0.948469D+01  0.196172D+01 -0.751251D+00
      3  -0.377535D+00 -0.621286D+00  0.196172D+01  0.134409D+01 -0.236448D+00
               116           117           118           119           120 
      1  -0.751251D+00 -0.236448D+00  0.193091D+01 -0.138777D+01 -0.141300D+01
      2   0.203466D+01  0.489228D+00 -0.138777D+01  0.108624D+01  0.419695D+00
      3   0.489228D+00  0.353854D+00 -0.141300D+01  0.419695D+00  0.138001D+01
               121           122           123           124           125 
      1  -0.300828D+01  0.221966D+01  0.927868D+00 -0.245671D+01  0.118647D+01
      2   0.221966D+01 -0.304592D+01 -0.215997D+01  0.118647D+01 -0.237380D+01
      3   0.927868D+00 -0.215997D+01 -0.280817D+01  0.253677D+01 -0.283384D+01
               126           127           128           129           130 
      1   0.253677D+01 -0.799825D+01  0.163435D+01  0.643171D+00 -0.123840D+01
      2  -0.283384D+01  0.163435D+01  0.270108D+01 -0.109535D+01  0.303699D+01
      3  -0.533361D+01  0.643171D+00 -0.109535D+01  0.196486D+01 -0.132754D+01
               131           132           133           134           135 
      1   0.303699D+01 -0.132754D+01  0.506420D+01 -0.236147D+01  0.298404D+01
      2   0.331846D+01 -0.133670D+01 -0.236147D+01 -0.146667D+00 -0.352876D+01
      3  -0.133670D+01 -0.305992D+01  0.298404D+01 -0.352876D+01 -0.156197D+01
               136           137           138           139           140 
      1   0.109672D+01  0.546995D+00 -0.928450D+00  0.565910D+00  0.344050D+00
      2   0.546995D+00 -0.156402D+00 -0.195309D+00  0.344050D+00  0.824064D+00
      3  -0.928450D+00 -0.195309D+00  0.217367D+00 -0.485392D+00 -0.124527D+01
               141           142           143           144           145 
      1  -0.485392D+00 -0.159332D+01 -0.612698D+00  0.217566D+01  0.106181D+02
      2  -0.124527D+01 -0.612698D+00 -0.186495D+01  0.235602D+01  0.201113D+01
      3   0.159095D+01  0.217566D+01  0.235602D+01 -0.843144D+01  0.926915D+00
               146           147           148           149           150 
      1   0.201113D+01  0.926915D+00  0.138069D+01  0.130571D+01  0.177399D-01
      2   0.142791D+01 -0.462226D-01  0.130571D+01  0.490167D+00  0.313308D+00
      3  -0.462226D-01  0.119911D+01  0.177399D-01  0.313308D+00  0.307063D+00
               151           152           153           154           155 
      1   0.308623D+01  0.512011D+00  0.144120D+01 -0.123329D+00  0.856328D+00
      2   0.512011D+00  0.696038D+00  0.499577D+00  0.856328D+00 -0.744971D+00
      3   0.144120D+01  0.499577D+00  0.878044D-01 -0.370522D+00  0.201018D+00
               156           157           158           159           160 
      1  -0.370522D+00  0.193601D+01  0.184267D+01 -0.176324D+00 -0.492814D+00
      2   0.201018D+00  0.184267D+01  0.104525D+02 -0.188668D+01 -0.154928D+00
      3   0.122491D+00 -0.176324D+00 -0.188668D+01  0.134142D+01  0.714629D+00
               161           162           163           164           165 
      1  -0.154928D+00  0.714629D+00  0.221500D+01  0.102847D+01  0.150081D+01
      2  -0.335980D+01  0.209957D+01  0.102847D+01  0.851272D+00  0.809377D+00
      3   0.209957D+01 -0.721165D+00  0.150081D+01  0.809377D+00  0.141154D+01
               166           167           168           169           170 
      1   0.731712D+00  0.159050D+01  0.684535D+00  0.393096D+01  0.248405D+01
      2   0.159050D+01  0.279561D+01  0.141846D+01  0.248405D+01  0.319432D+01
      3   0.684535D+00  0.141846D+01  0.118608D+01  0.277680D+01  0.331357D+01
               171           172           173           174           175 
      1   0.277680D+01  0.428219D+00  0.265605D+00  0.571249D+00  0.107126D+01
      2   0.331357D+01  0.265605D+00 -0.591088D+00  0.109080D+00 -0.433887D+00
      3   0.659609D+01  0.571249D+00  0.109080D+00 -0.940736D+00  0.486795D+00
               176           177           178           179           180 
      1  -0.433887D+00  0.486795D+00  0.101495D+01  0.280755D-01  0.397667D+00
      2   0.106769D+01  0.108108D+01  0.280755D-01  0.145038D+01  0.113107D+01
      3   0.108108D+01  0.270472D+01  0.397667D+00  0.113107D+01  0.591230D+01
               181           182           183           184           185 
      1   0.125641D+02 -0.299609D+01  0.903696D+00 -0.127731D+01  0.132096D+01
      2  -0.299609D+01  0.174728D+01 -0.388350D+00  0.132096D+01 -0.117438D+01
      3   0.903696D+00 -0.388350D+00  0.131136D+01  0.788875D-01  0.196574D+00
               186           187           188           189           190 
      1   0.788875D-01 -0.130493D+01  0.458412D+00  0.876684D+00 -0.279122D+00
      2   0.196574D+00  0.458412D+00 -0.388917D+00  0.811660D-01 -0.960038D+00
      3   0.161174D+00  0.876684D+00  0.811660D-01 -0.209627D-01  0.300002D-01
               191           192           193           194           195 
      1  -0.960038D+00  0.300002D-01 -0.150123D+01 -0.279482D+00 -0.105580D-01
      2  -0.216636D+01  0.767072D+00 -0.279482D+00 -0.755106D+01  0.193336D+01
      3   0.767072D+00 -0.979690D+00 -0.105580D-01  0.193336D+01 -0.135462D+01
               196           197           198 
      1  -0.307585D+00  0.257034D+00 -0.299905D+00
      2   0.257034D+00  0.114596D+01 -0.943269D+00
      3  -0.299905D+00 -0.943269D+00  0.967086D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.181520D+01  0.590941D+00 -0.261506D+01  0.258001D+01 -0.631787D+00
      2   0.218651D+01  0.160402D+01  0.388182D+01 -0.247345D+01 -0.233578D+01
      3  -0.720951D+01 -0.995485D+01 -0.116111D+01  0.836289D+01 -0.335524D+01
                 6             7             8             9            10 
      1  -0.862114D+00 -0.775065D+01  0.510877D+01  0.193933D+01  0.617469D+00
      2   0.407961D+01 -0.458942D+00  0.107214D+02  0.302409D+01 -0.982596D+00
      3   0.944478D+00  0.275328D+01  0.328615D+01 -0.482842D+01  0.520336D+01
                11            12            13            14            15 
      1   0.621721D+00  0.123003D+01  0.542384D-01 -0.253473D+01  0.841704D+00
      2   0.115860D+00  0.569929D+01 -0.382017D+01  0.342877D+00 -0.129455D+01
      3  -0.798267D+01 -0.499985D+00  0.108734D+02  0.400068D+01 -0.144665D+01
                16            17            18            19            20 
      1   0.414446D+01  0.108748D+02  0.206313D+01  0.838528D+00 -0.110038D+01
      2   0.731686D+01 -0.505913D+01 -0.370918D+01 -0.474730D+01  0.306935D+01
      3   0.343184D+01 -0.139416D+01  0.232730D+01  0.944882D+01 -0.702139D+01
                21            22            23            24            25 
      1   0.162269D+01 -0.639464D+00  0.933091D+00 -0.279934D+01  0.333242D+01
      2  -0.442887D+00  0.156414D+01  0.652999D+00  0.209922D+01 -0.135886D+02
      3  -0.341643D+01  0.588671D+01 -0.755025D+01  0.221258D-01 -0.345767D+01
                26            27            28            29            30 
      1  -0.558939D-01 -0.993495D+00  0.290686D+00  0.228918D+00  0.159307D+01
      2   0.311474D+01  0.361944D+01  0.239634D+01 -0.348650D+01 -0.214149D+01
      3   0.115200D+01 -0.548852D+01 -0.507948D+01  0.121603D+02  0.188432D+01
                31            32            33            34            35 
      1   0.246165D+00 -0.322254D+01 -0.878280D+00  0.401199D+01  0.965790D+01
      2  -0.161711D+01  0.765180D+00  0.289807D+00 -0.138437D+02 -0.507258D+00
      3   0.111353D+02 -0.929141D+01  0.135826D+01 -0.578731D+00 -0.167045D+01
                36            37            38            39            40 
      1   0.499155D+00 -0.189466D+01 -0.435492D+00 -0.917320D+00  0.730157D+00
      2   0.735076D+00 -0.341955D+00  0.699806D-01 -0.140710D+01  0.364406D+01
      3  -0.258552D+01 -0.275956D+01  0.911436D+01  0.247351D+01  0.122184D+02
                41            42            43            44            45 
      1  -0.643527D+00 -0.628016D+00 -0.447435D+01  0.761797D+01  0.181099D+01
      2  -0.273517D+01 -0.158434D+01 -0.135551D+02 -0.936498D+00  0.586050D+00
      3   0.179627D+02  0.122023D+01 -0.505548D+00  0.294046D+01  0.490787D+01
                46            47            48            49            50 
      1   0.663779D+00 -0.102677D+01 -0.572097D+00 -0.676547D+00 -0.453146D-01
      2   0.744117D+00  0.198107D+01  0.319380D+00  0.238736D+01  0.215310D+01
      3  -0.471458D+01 -0.155863D+02 -0.217713D+01  0.261330D+00  0.338776D+01
                51            52            53            54            55 
      1  -0.235591D+01  0.311400D+01  0.513083D+00 -0.822675D+00 -0.169885D+01
      2  -0.384287D+01 -0.106865D+02 -0.864815D+01 -0.362604D+01 -0.839997D-01
      3  -0.132232D+01 -0.203365D+01 -0.197357D+01  0.513475D+01 -0.793761D+00
                56            57            58            59            60 
      1   0.632633D+00 -0.231493D+01  0.184548D+00  0.457530D+01 -0.999164D-01
      2   0.245709D+01 -0.290865D+00  0.336767D+01  0.429756D+00  0.597749D+01
      3  -0.385981D+01  0.914030D+00  0.987208D+01  0.116051D+02 -0.480770D+01
                61            62            63            64            65 
      1  -0.581115D+01  0.708908D+01  0.243397D+00  0.410145D+01 -0.205677D+01
      2  -0.142258D+02  0.893024D+01  0.117186D+01 -0.119933D+02 -0.709600D+00
      3   0.197773D+01 -0.532170D+01 -0.416683D+01  0.519101D+00 -0.107035D+02
                66            67            68            69            70 
      1  -0.555694D+00 -0.938381D+00 -0.242496D+01  0.106257D+01  0.863426D+00
      2   0.127696D+01  0.463762D+00 -0.531090D+00 -0.386280D+01 -0.835264D+01
      3  -0.354014D+01 -0.673915D+01 -0.712887D+01  0.496857D+01 -0.616398D+01
                71            72            73            74            75 
      1   0.543454D+01 -0.423812D+01  0.130585D+01  0.467971D+01  0.323937D+01
      2  -0.641316D+01  0.122312D+02  0.252579D+00 -0.140958D+01  0.204981D+00
      3   0.347339D+01  0.494723D+01 -0.409025D+01 -0.300952D+01  0.118845D+01
                76            77            78            79            80 
      1   0.200251D+01 -0.806470D+01  0.433188D+00  0.962717D+01  0.120439D+02
      2  -0.174827D+01  0.263588D+01  0.103952D+00 -0.776720D+01 -0.241552D+01
      3   0.112220D+02 -0.494001D+00 -0.728952D+01 -0.240094D+00 -0.123789D+02
                81            82            83            84            85 
      1   0.905389D+01  0.247924D+00  0.502348D+00 -0.238301D+01 -0.435138D+00
      2  -0.320661D+01 -0.443353D+00 -0.438211D+00  0.374466D+01  0.923020D+00
      3  -0.533937D+01 -0.169649D+01 -0.538413D+01  0.775878D-01 -0.393529D+01
                86            87            88            89            90 
      1  -0.439010D-01 -0.258537D+01  0.121941D+01  0.126410D+01 -0.165639D+00
      2   0.920979D+00  0.327758D+01 -0.138758D+01 -0.975531D+00  0.124604D+00
      3  -0.882097D+01 -0.718662D+00 -0.950703D+00 -0.154211D+01  0.627251D-01
                91            92            93            94            95 
      1  -0.173691D+00 -0.581725D+00  0.117790D+01 -0.449051D-01  0.183837D+00
      2  -0.178015D+01  0.282576D+00  0.613450D+01  0.153138D+01 -0.725300D+00
      3   0.189530D+01 -0.543822D+01 -0.194775D+00 -0.404234D+01  0.283872D+01
                96            97            98            99           100 
      1  -0.639941D+00 -0.824514D+00  0.491514D+00 -0.124538D+00  0.262119D+00
      2  -0.177919D+01 -0.202092D+01  0.470783D+00 -0.638333D+00  0.719234D+00
      3   0.713386D+00 -0.181203D+01  0.144650D+01  0.129276D+00 -0.379839D+01
               101           102           103           104           105 
      1   0.553332D-01  0.103406D+01 -0.228764D+00  0.833632D+00 -0.465653D+01
      2  -0.944142D+00 -0.104858D+00 -0.126818D+01  0.236185D+01  0.806775D+00
      3   0.393879D+01  0.991875D+00  0.611161D+01 -0.122337D+02 -0.280844D+01
               106           107           108           109           110 
      1  -0.319020D+00  0.215918D+01 -0.695352D+00 -0.194901D+00  0.134235D+00
      2  -0.114393D+01  0.620427D+00  0.453241D-01 -0.392743D+00  0.384421D+00
      3   0.138858D+01 -0.323063D+01 -0.346010D+00  0.889320D+00 -0.867652D+00
               111           112           113           114           115 
      1   0.110426D+01  0.120945D+00  0.632580D+00 -0.458910D+01 -0.361613D+00
      2   0.971002D+00  0.761091D-01 -0.306652D+01 -0.290388D+01 -0.724991D+00
      3  -0.240511D+00  0.696987D+00  0.142689D+02  0.283397D+01 -0.901362D-01
               116           117           118           119           120 
      1   0.193308D+01 -0.709120D+00 -0.776992D+00 -0.568897D+00  0.135327D+01
      2  -0.476092D-01 -0.445900D+00 -0.100881D+01  0.284956D+00  0.259315D+01
      3   0.317143D+01  0.233945D+00  0.136058D+01 -0.304619D+01  0.268879D+00
               121           122           123           124           125 
      1   0.204409D+00  0.590048D+00 -0.257163D+01  0.196914D+01  0.938997D+00
      2  -0.267529D+00 -0.255339D+01 -0.495874D+01  0.119755D+01 -0.394330D+01
      3   0.661695D+00  0.346581D+01  0.371092D+01  0.106127D+01  0.465697D+01
               126           127           128           129           130 
      1  -0.366299D+01  0.286678D+01  0.204924D+01  0.259086D+01 -0.149564D+01
      2  -0.801540D+01  0.108753D+02 -0.604268D+01  0.750684D+01 -0.594221D+01
      3   0.375533D+01  0.894557D+01 -0.130682D+02  0.143206D+01 -0.545008D+01
               131           132           133           134           135 
      1   0.369439D+01 -0.106991D+02  0.261988D+01 -0.581396D+01 -0.617293D+01
      2  -0.537595D+01 -0.711609D+01  0.512536D+01 -0.771776D+01 -0.564815D+01
      3  -0.163943D+02  0.659880D+01 -0.885521D-01  0.670500D+01  0.477806D+01
               136           137           138           139           140 
      1   0.125100D+00  0.667998D+00 -0.525644D-01  0.668115D+00  0.690744D-01
      2  -0.540083D+00 -0.141151D+00  0.874285D+00 -0.368162D+00 -0.255921D+01
      3  -0.677060D+00  0.752622D+00 -0.249865D+00  0.270714D+01 -0.118392D+01
               141           142           143           144           145 
      1  -0.116410D+01 -0.133705D+01  0.211385D+01  0.643516D+01 -0.230667D+01
      2   0.326944D+01  0.724791D+00  0.435877D+01 -0.176196D+02  0.876832D+01
      3   0.249995D+01 -0.923708D+00  0.487351D+01 -0.254934D+01  0.642852D+01
               146           147           148           149           150 
      1  -0.798519D+00 -0.158356D+01 -0.750836D+00 -0.448819D+00 -0.130796D+01
      2   0.117584D+01  0.623958D+01  0.977061D+00  0.158462D+01  0.107450D+01
      3  -0.531781D+01  0.112110D+01 -0.754468D+00  0.222808D+00 -0.129722D+01
               151           152           153           154           155 
      1  -0.159945D+01 -0.887096D-01 -0.784134D+00  0.458293D+00 -0.844090D+00
      2   0.417647D+01  0.142585D+01  0.173675D+01  0.160650D+00  0.599337D+00
      3   0.227162D+01 -0.275551D+01  0.179804D+00 -0.156819D+01  0.334668D+00
               156           157           158           159           160 
      1   0.168783D-01  0.168070D+01  0.584707D+01 -0.571834D+01 -0.184031D+01
      2   0.107042D+01 -0.385491D+00 -0.218169D+01  0.133240D+01  0.184046D+00
      3  -0.139839D+01  0.470393D+01 -0.864852D+01  0.226330D+01 -0.223840D+01
               161           162           163           164           165 
      1  -0.404606D+01  0.240178D+01 -0.306478D+01 -0.995142D+00 -0.326874D+01
      2   0.148203D+01 -0.858471D+00 -0.446529D+00  0.633710D+00  0.226371D+01
      3   0.464843D+01 -0.881717D+00  0.558099D+01 -0.111851D+00  0.222769D+01
               166           167           168           169           170 
      1  -0.120800D+01 -0.165143D+01 -0.303484D+01 -0.628003D+01 -0.464327D+01
      2   0.561819D+00  0.102197D+01  0.144063D+01  0.730930D+00  0.282265D+01
      3  -0.357401D+00 -0.255719D+00  0.134533D-01  0.650182D+01  0.158439D+01
               171           172           173           174           175 
      1  -0.147636D+02  0.130482D+01 -0.144910D+01 -0.126733D+01 -0.579995D+00
      2   0.635746D+01  0.168497D+01 -0.289637D+00 -0.210210D+01 -0.102602D+01
      3   0.209833D+01 -0.100210D+01  0.822287D+00 -0.695188D+00  0.110301D+01
               176           177           178           179           180 
      1   0.495297D+01  0.451152D+01 -0.113735D+00  0.642247D+01  0.101638D+02
      2   0.342855D+01  0.634846D+01 -0.299767D+01  0.354060D+01  0.137320D+02
      3  -0.279682D+01 -0.334728D+01 -0.766884D+00 -0.408701D+01 -0.358871D+01
               181           182           183           184           185 
      1   0.635584D-01  0.107156D+01  0.241122D+01  0.863858D+00 -0.541857D+00
      2  -0.755857D+01  0.879272D+00  0.596653D+01  0.130274D+01 -0.105499D+00
      3  -0.129158D+02 -0.343966D+01 -0.141684D+00  0.775361D-01  0.163746D+01
               186           187           188           189           190 
      1  -0.261712D+00  0.113604D+01  0.987532D+00  0.917151D-01 -0.122061D+01
      2   0.148360D+00  0.128268D+01  0.419174D+00 -0.701508D+00  0.132646D+01
      3  -0.486316D+00  0.450731D+00 -0.754038D-01 -0.182369D+01  0.518392D+01
               191           192           193           194           195 
      1  -0.137775D+01 -0.184332D+01 -0.113314D+01 -0.469135D+01 -0.282529D+01
      2   0.255694D+01 -0.142930D+01  0.211747D+01  0.587182D+01 -0.290578D+01
      3   0.672912D+01 -0.149706D+01  0.697136D+01  0.196139D+02 -0.482739D+01
               196           197           198 
      1  -0.476354D+00  0.936712D+00  0.106302D+01
      2  -0.157178D+01 -0.209297D+01  0.230935D+01
      3   0.132210D-01 -0.350874D+01  0.304352D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.353855D+01 -0.203745D+02 -0.321035D+01  0.282123D+02  0.169306D+01
      2  -0.733547D+00  0.149878D+02 -0.244881D+00 -0.261862D+02 -0.496180D+01
      3   0.427210D+01  0.538671D+01  0.345524D+01 -0.202617D+01  0.326874D+01
      4  -0.193286D+02  0.117478D+02  0.522398D+01  0.290091D+01 -0.151154D+02
      5   0.117523D+01  0.345647D+01  0.882698D+01 -0.659798D+01 -0.754961D+01
      6   0.259313D+01  0.327727D+01  0.630667D+01 -0.765876D+01 -0.430481D+01
                 6             7             8             9            10 
      1  -0.138875D+01  0.116306D+02  0.386999D+01  0.675797D+01 -0.957101D+01
      2   0.219954D+01 -0.125015D+02 -0.585777D+01 -0.107275D+02  0.658711D+01
      3  -0.810783D+00  0.870850D+00  0.198778D+01  0.396953D+01  0.298390D+01
      4  -0.964096D+01 -0.877967D+00 -0.101314D+02  0.133708D+02  0.587505D+01
      5   0.841834D+01  0.257906D+02  0.158510D+02  0.613198D+01  0.626475D+01
      6   0.259969D+01  0.865774D+01  0.108411D+02 -0.295789D+01  0.780046D+00
                11            12            13            14            15 
      1   0.487075D+01  0.648586D+01 -0.218693D+02 -0.195954D+02 -0.634609D+01
      2  -0.267890D+01 -0.297183D+01  0.183136D+02  0.179568D+02  0.741055D+01
      3  -0.219185D+01 -0.351404D+01  0.355564D+01  0.163862D+01 -0.106447D+01
      4   0.221259D+02  0.668866D+00 -0.199142D+02  0.134440D+02  0.776059D+01
      5   0.326567D+00  0.124360D+02 -0.111716D+02  0.506009D+01 -0.253870D+01
      6  -0.335931D+00 -0.280914D+01  0.653541D+01  0.355297D+01 -0.144621D+01
                16            17            18            19            20 
      1   0.399388D+01 -0.935932D+01  0.134522D+02  0.116378D+02  0.498622D+01
      2   0.226810D+01  0.692807D+01 -0.178375D+02 -0.957610D+01 -0.747711D+01
      3  -0.626198D+01  0.243125D+01  0.438529D+01 -0.206175D+01  0.249090D+01
      4  -0.134554D+02  0.384998D+01 -0.370040D+01  0.103585D+02 -0.226024D+02
      5   0.335702D+02 -0.591513D+01 -0.768062D+01 -0.965215D+00 -0.227170D+01
      6  -0.193405D+01  0.519248D+01 -0.291917D+01 -0.176464D+01  0.106460D+01
                21            22            23            24            25 
      1  -0.136342D+01  0.715360D+01  0.997096D+01  0.551401D+01 -0.188904D+01
      2   0.885895D+00 -0.254233D+00 -0.146898D+02 -0.791574D+01  0.229189D+01
      3   0.477525D+00 -0.689937D+01  0.471884D+01  0.240174D+01 -0.402854D+00
      4  -0.441299D+01  0.165583D+02  0.983341D+01 -0.143820D+00  0.114714D+01
      5  -0.359925D+01  0.643142D+00  0.470513D+00  0.259240D+01  0.172165D+01
      6  -0.317384D+01  0.262487D+01 -0.120251D+02  0.358055D+01  0.509212D-01
                26            27            28            29            30 
      1   0.442373D+01 -0.147134D+02 -0.223446D+02  0.866647D+01  0.245151D+01
      2  -0.112848D+02  0.216610D+01  0.129991D+02 -0.481066D+01 -0.254113D+00
      3   0.686105D+01  0.125473D+02  0.934546D+01 -0.385582D+01 -0.219740D+01
      4   0.292913D+01  0.925611D+01 -0.113274D+02  0.948392D+01  0.568054D+00
      5   0.814729D+01  0.755441D+01  0.400050D+01 -0.137212D+01 -0.150788D+01
      6   0.154764D+02  0.612384D+01 -0.273573D+01 -0.364546D+00 -0.230415D+01
                31            32            33            34            35 
      1  -0.384466D+01 -0.376535D+01  0.928144D-01  0.684244D+01 -0.120239D+01
      2   0.890370D+01  0.890372D+01  0.201818D+01 -0.159955D+00  0.337740D+00
      3  -0.505904D+01 -0.513837D+01 -0.211100D+01 -0.668248D+01  0.864653D+00
      4  -0.676853D+01  0.961903D+01  0.163538D+01 -0.422378D+01  0.139065D+01
      5  -0.259085D+01  0.125413D+00 -0.566953D+00  0.350915D+01 -0.831949D+00
      6   0.603417D+01  0.248653D+01  0.151207D+01 -0.170616D+01  0.560258D+01
                36            37            38            39            40 
      1  -0.980598D+01 -0.175491D+02 -0.250367D+02 -0.486116D+01 -0.596697D+01
      2  -0.355706D+01  0.132833D+02  0.189716D+02  0.295582D+01 -0.364335D+01
      3   0.133630D+02  0.426576D+01  0.606508D+01  0.190534D+01  0.961032D+01
      4  -0.332602D+01 -0.560604D+01 -0.283246D+01  0.202253D+01  0.502107D+01
      5   0.807483D+00 -0.878935D+00  0.228788D+01 -0.789634D+00  0.423875D+01
      6  -0.122345D+01  0.617446D+01  0.411271D+01  0.198253D+01 -0.671726D+01
                41            42            43            44            45 
      1  -0.732672D+01  0.287641D+01 -0.252618D+00  0.633688D+01 -0.103738D+02
      2   0.734146D+01  0.232029D+00 -0.172809D+01 -0.461465D+01  0.405793D+00
      3  -0.147371D-01 -0.310844D+01  0.198071D+01 -0.172224D+01  0.996800D+01
      4  -0.779068D+01 -0.252560D+01  0.218870D+01 -0.103506D+01 -0.106338D+01
      5  -0.201732D+01 -0.188608D+01  0.393557D+01 -0.248183D+01  0.109256D+01
      6  -0.516248D+00  0.248940D+01  0.136665D+01  0.785555D+01 -0.200304D+01
                46            47            48            49            50 
      1   0.166527D+02  0.176165D+02 -0.327066D+00 -0.174999D+02  0.138897D+02
      2  -0.152052D+02 -0.129966D+02 -0.707303D+00  0.139758D+02 -0.187979D+02
      3  -0.144746D+01 -0.461997D+01  0.103437D+01  0.352407D+01  0.490816D+01
      4   0.651786D+01 -0.162224D+02 -0.614457D+01  0.117796D+02 -0.282991D+01
      5   0.359322D+01 -0.515214D+01 -0.245145D+01  0.131412D+01  0.401515D+01
      6  -0.705844D+01  0.149880D+01 -0.181333D-01  0.317111D+01 -0.107553D+02
                51            52            53            54            55 
      1   0.426603D+01 -0.555546D+01 -0.110419D+01 -0.731371D+01  0.187658D+02
      2  -0.655512D+01  0.748342D+01 -0.760222D+01 -0.296312D+01 -0.928535D+01
      3   0.228908D+01 -0.192796D+01  0.870641D+01  0.102768D+02 -0.948045D+01
      4   0.406631D+01 -0.249148D+01  0.100210D+02 -0.145190D+02  0.921433D+01
      5  -0.693108D+01  0.835745D+01 -0.136860D+02 -0.758662D+01 -0.155432D+01
      6   0.335975D+01 -0.547355D+01  0.138364D+02  0.348739D+01  0.265117D+01
                56            57            58            59            60 
      1  -0.503212D+01  0.261579D+01 -0.406872D+01 -0.510841D+01  0.382465D+01
      2   0.257336D+01 -0.143928D+01 -0.299996D+00  0.443988D+01 -0.311105D+01
      3   0.245877D+01 -0.117651D+01  0.436871D+01  0.668531D+00 -0.713604D+00
      4  -0.108196D+02  0.240290D+01 -0.217251D+02 -0.609853D+01  0.569784D+01
      5   0.290335D+01 -0.890574D+01  0.438544D+01  0.724517D+01  0.141619D+02
      6  -0.869980D+00  0.681336D+01  0.266599D+01 -0.372594D+01 -0.119299D+02
                61            62            63            64            65 
      1  -0.452817D+01  0.556896D+01  0.218564D+01 -0.320927D+02 -0.117227D+02
      2  -0.615180D+00  0.248927D+00 -0.121164D+01  0.986041D+01  0.874058D+01
      3   0.514336D+01 -0.581788D+01 -0.973999D+00  0.222323D+02  0.298209D+01
      4   0.929681D+01  0.263243D+00  0.213939D+02 -0.148053D+02  0.807073D+00
      5  -0.214819D+02  0.191627D+02  0.574022D+01 -0.109776D+02 -0.342079D-01
      6   0.165554D+02 -0.146060D+02 -0.851082D+01 -0.393189D+01  0.202338D+00
                66            67            68            69            70 
      1  -0.112596D+02 -0.104572D+02  0.643532D+01  0.343780D+00 -0.201986D+02
      2   0.690937D+01  0.953538D+01  0.605240D+00 -0.622617D+01  0.866076D+01
      3   0.435022D+01  0.921864D+00 -0.704056D+01  0.588239D+01  0.115379D+02
      4  -0.310473D+01  0.474781D+01  0.138422D+02 -0.388897D+01 -0.607955D+01
      5   0.262650D+01  0.223929D+01 -0.649435D+01 -0.632644D+01 -0.944499D+00
      6   0.149873D+00 -0.183592D+01 -0.254115D+01 -0.285831D+01 -0.291977D+01
                71            72            73            74            75 
      1  -0.195595D+01  0.637863D+01  0.284048D+01  0.103226D+02  0.794939D+01
      2  -0.791066D+01  0.107800D+02  0.438889D+01 -0.401183D+01 -0.668048D+01
      3   0.986661D+01 -0.171586D+02 -0.722937D+01 -0.631075D+01 -0.126891D+01
      4   0.867917D+00 -0.104125D+02  0.377291D+01  0.203487D+01 -0.235157D+01
      5  -0.945553D+01  0.229422D+02  0.613980D+00 -0.423047D+01 -0.614409D+01
      6  -0.148729D+01  0.161834D+02 -0.312952D+01 -0.772215D+01 -0.630014D+01
                76            77            78            79            80 
      1   0.189027D+02  0.242608D+02 -0.764705D+01  0.130830D+02 -0.692808D+01
      2  -0.164930D+02 -0.359107D+02  0.131733D+02 -0.623400D+01  0.188057D+02
      3  -0.240970D+01  0.116499D+02 -0.552629D+01 -0.684899D+01 -0.118776D+02
      4  -0.258783D+01 -0.972163D+01  0.160938D+01 -0.611842D+01 -0.165345D+01
      5  -0.641669D+01  0.249654D+01 -0.202745D+01 -0.106959D+02 -0.832812D+01
      6  -0.299623D+01  0.121214D+02 -0.542443D+01 -0.149074D+02 -0.162494D+02
                81            82            83            84            85 
      1   0.110542D+02  0.380736D+02  0.198063D+02  0.220415D+01  0.158419D+02
      2  -0.627620D+01 -0.127774D+02 -0.314542D+01 -0.106241D+01  0.149916D+01
      3  -0.477795D+01 -0.252962D+02 -0.166609D+02 -0.114173D+01 -0.173411D+02
      4  -0.972517D+01  0.412327D+02  0.314115D+02  0.223014D+01  0.354382D+02
      5  -0.140546D+02  0.485491D+01  0.249887D+01  0.714928D+01  0.532450D+01
      6  -0.179289D+02  0.594657D+00  0.469740D+00  0.336470D+01  0.233659D+01
                86            87            88            89            90 
      1   0.103306D+02  0.163039D+01  0.852247D-01  0.322692D+00  0.431542D+00
      2   0.753665D+01 -0.588615D+00  0.118162D+01  0.113055D+01  0.316574D+00
      3  -0.178672D+02 -0.104178D+01 -0.126684D+01 -0.145324D+01 -0.748116D+00
      4   0.370371D+02  0.406744D+01  0.379336D+01  0.431196D+01  0.255464D+01
      5   0.480411D+01  0.541605D+01  0.211120D+01  0.141710D+01  0.713219D+00
      6   0.223623D+01  0.456192D+01  0.133684D+01  0.178580D+01  0.111518D+01
                91            92            93            94            95 
      1   0.891109D+02 -0.157935D+02 -0.930834D+01 -0.145183D+02  0.108151D+02
      2  -0.502812D+02  0.785937D+01  0.647620D+01  0.641374D+01 -0.452991D+01
      3  -0.388297D+02  0.793417D+01  0.283214D+01  0.810454D+01 -0.628516D+01
      4  -0.252399D+02  0.129460D+02  0.261510D+01  0.188982D+02 -0.904821D+01
      5  -0.143517D+02  0.247602D+01  0.114829D+02  0.508533D+01 -0.278658D+01
      6   0.175271D-01 -0.660716D+00 -0.139278D+01 -0.158957D+01  0.609573D+00
                96            97            98            99           100 
      1   0.275371D+01 -0.113731D+02  0.348263D+01  0.341303D+01 -0.395630D+01
      2  -0.199064D+01  0.648808D+01 -0.194466D+01 -0.230751D+01  0.547491D+01
      3  -0.763064D+00  0.488497D+01 -0.153797D+01 -0.110552D+01 -0.151862D+01
      4  -0.262423D+01  0.580623D+01 -0.289678D+01 -0.194931D+01 -0.162415D+00
      5  -0.295075D+01  0.444590D+01 -0.103496D+01 -0.254644D+01  0.136717D+00
      6   0.203364D+01 -0.717323D+00  0.108612D+01  0.728592D+00  0.206342D+01
               101           102           103           104           105 
      1   0.704430D+01  0.234718D+01  0.400205D+01 -0.377851D+02 -0.890264D+01
      2  -0.725603D+01 -0.163958D+01 -0.409099D+01  0.515596D+02  0.880709D+01
      3   0.211739D+00 -0.707603D+00  0.889462D-01 -0.137745D+02  0.955499D-01
      4   0.707139D+01  0.119142D+01  0.568756D+01  0.109670D+02  0.284830D+01
      5   0.982903D+00  0.135140D+01  0.100118D+01  0.363018D+01  0.203321D+01
      6  -0.287997D+01 -0.168836D+01 -0.910543D+00  0.156443D+02  0.103351D+02
               106           107           108           109           110 
      1   0.103549D+01 -0.877741D+01 -0.362924D+01  0.187247D+01 -0.268304D+01
      2  -0.107575D+01  0.106977D+02  0.365936D+01  0.324082D+01 -0.321664D+01
      3   0.402565D-01 -0.192031D+01 -0.301157D-01 -0.511329D+01  0.589968D+01
      4   0.121718D+01  0.197053D+01 -0.684294D+00 -0.120982D+02  0.160525D+02
      5   0.856263D+00  0.293027D+00 -0.151112D+00 -0.278033D+01  0.345966D+01
      6  -0.338625D+00  0.576509D+01  0.376185D+01  0.243143D+01 -0.269348D+01
               111           112           113           114           115 
      1  -0.457134D+00  0.197776D+01 -0.229859D+02 -0.498334D+01  0.100506D+00
      2  -0.161363D+00 -0.896821D+01  0.412663D+02  0.588010D+01 -0.158045D+01
      3   0.618497D+00  0.699045D+01 -0.182804D+02 -0.896756D+00  0.147994D+01
      4   0.366897D+01  0.181903D+02 -0.405879D+02 -0.825027D+01  0.459242D+01
      5   0.337094D+01  0.362494D+01 -0.740288D+01 -0.548438D+01  0.151050D+01
      6  -0.210823D+01 -0.397530D+01  0.129543D+02  0.951663D+01 -0.152451D+01
               116           117           118           119           120 
      1  -0.405633D+01 -0.292748D+01  0.398747D+01 -0.169616D+01 -0.305396D+01
      2   0.705241D+01  0.330264D+01 -0.338476D+01  0.926437D+00  0.268957D+01
      3  -0.299607D+01 -0.375163D+00 -0.602711D+00  0.769721D+00  0.364389D+00
      4  -0.942488D+01 -0.243317D+01 -0.788140D+01  0.902614D+01  0.430764D+01
      5  -0.212592D+01 -0.159407D+01 -0.811185D+01  0.376796D+01  0.105352D+02
      6   0.529472D+01  0.357076D+01  0.537555D+01 -0.265057D+01 -0.411780D+01
               121           122           123           124           125 
      1   0.438325D+00 -0.559425D+01 -0.551043D+01 -0.989140D+00 -0.548589D+01
      2  -0.700984D+00  0.558768D+01  0.258672D+01  0.382048D+01  0.589169D+00
      3   0.262660D+00  0.657427D-02  0.292371D+01 -0.283134D+01  0.489672D+01
      4   0.132475D+02 -0.135958D+02 -0.910488D+01  0.767780D+01 -0.991086D+01
      5   0.578991D+01 -0.923081D+01 -0.117995D+02  0.154635D+02 -0.118843D+02
      6  -0.551316D+01  0.121515D+02  0.138973D+02 -0.898132D+01  0.138340D+02
               126           127           128           129           130 
      1  -0.934563D+01 -0.509872D+02  0.208425D+02 -0.425758D+01  0.123508D+02
      2  -0.561331D+01  0.200847D+02 -0.182687D+02  0.426039D+00 -0.100478D+02
      3   0.149589D+02  0.309026D+02 -0.257380D+01  0.383154D+01 -0.230308D+01
      4  -0.122605D+02  0.262826D+02  0.628585D+01 -0.421739D+01  0.118418D+02
      5  -0.220874D+02 -0.576150D+01 -0.125354D+01  0.968629D+01 -0.470040D+01
      6   0.188986D+02 -0.187935D+01  0.737418D+01 -0.508223D+01  0.640070D+01
               131           132           133           134           135 
      1   0.224392D+02 -0.109145D+01  0.338536D+01 -0.240469D+01  0.736481D+01
      2  -0.237573D+02  0.145931D+02 -0.325025D+01  0.117476D+02  0.764528D+01
      3   0.131817D+01 -0.135016D+02 -0.135108D+00 -0.934287D+01 -0.150101D+02
      4   0.462652D+01 -0.393728D+01 -0.143991D+02  0.114342D+01 -0.212570D+02
      5  -0.170895D+00 -0.141560D+02  0.175874D+02 -0.178635D+02 -0.289112D+01
      6   0.868376D+01  0.464045D+01 -0.117900D+02  0.749089D+01 -0.444297D+01
               136           137           138           139           140 
      1   0.437719D+01  0.330549D+01 -0.389384D+01  0.155066D+01 -0.487358D+01
      2  -0.446499D+01 -0.225150D+01  0.240010D+01 -0.135191D+01  0.112366D+01
      3   0.877982D-01 -0.105398D+01  0.149374D+01 -0.198749D+00  0.374992D+01
      4   0.391107D+01  0.139054D+01 -0.282583D+01  0.408496D+01  0.356885D+01
      5  -0.491969D+01 -0.232236D+01  0.632346D+01 -0.326073D+01 -0.521506D+01
      6  -0.263814D+01 -0.371687D+00  0.840380D-01 -0.217830D+01 -0.599299D+01
               141           142           143           144           145 
      1   0.339162D+01 -0.374689D+01  0.434717D+01 -0.131350D+02  0.645156D+02
      2  -0.138483D+00  0.791736D+01  0.167848D+01 -0.190541D+02 -0.311900D+02
      3  -0.325314D+01 -0.417048D+01 -0.602565D+01  0.321891D+02 -0.333256D+02
      4  -0.610184D+01 -0.614145D+01 -0.922997D+01  0.116330D+02  0.252773D+02
      5   0.654669D+01  0.153775D+02  0.105128D+02 -0.365431D+02  0.206175D+01
      6   0.102546D+02  0.607679D+01  0.103063D+02 -0.214504D+02  0.851660D+00
               146           147           148           149           150 
      1   0.953732D+01  0.601136D+01  0.568918D+01  0.574871D+01  0.141087D+00
      2  -0.272388D+01 -0.207876D+01 -0.338679D+00 -0.491196D+00  0.123225D+01
      3  -0.681344D+01 -0.393260D+01 -0.535050D+01 -0.525751D+01 -0.137334D+01
      4   0.142633D+02  0.135767D+01  0.123371D+02  0.527381D+01  0.193272D+01
      5  -0.488847D+00  0.909645D+01 -0.204080D+00  0.160646D+01  0.158519D+01
      6  -0.243835D+00  0.255495D+01 -0.323713D+00  0.816351D+00  0.199781D+01
               151           152           153           154           155 
      1   0.152386D+02  0.206299D+01  0.572438D+01 -0.575595D+00  0.486465D+01
      2  -0.727557D+01  0.107091D+01 -0.491428D+01  0.335440D+01 -0.553607D+01
      3  -0.796304D+01 -0.313390D+01 -0.810106D+00 -0.277880D+01  0.671414D+00
      4   0.651996D+01  0.468838D+01  0.414913D+01  0.114308D+01  0.749952D+01
      5   0.998822D+01  0.280561D+01  0.236618D+01 -0.605573D+00 -0.599180D+00
      6   0.265834D+01  0.185343D+01 -0.228073D+00 -0.261492D+01  0.122719D+01
               156           157           158           159           160 
      1  -0.209978D+01 -0.402675D+01 -0.388999D+02  0.735284D+01 -0.109289D+01
      2   0.154746D+01  0.757195D+01  0.627890D+02 -0.112166D+02 -0.137649D+01
      3   0.552321D+00 -0.354521D+01 -0.238891D+02  0.386377D+01  0.246938D+01
      4  -0.167332D+01  0.991793D+01  0.176789D+02 -0.286956D+01 -0.354865D+01
      5   0.264609D+01 -0.130512D+01 -0.258769D+01  0.268557D+01  0.360030D+01
      6  -0.339673D-01 -0.208661D+01 -0.153545D+02  0.104609D+02  0.418927D+01
               161           162           163           164           165 
      1   0.130882D+02 -0.832667D+01  0.195714D+01 -0.117476D+01 -0.109485D+00
      2  -0.197457D+02  0.875857D+01 -0.349593D+01  0.143885D+01 -0.621004D-01
      3   0.665755D+01 -0.431898D+00  0.153879D+01 -0.264087D+00  0.171586D+00
      4  -0.567122D+01  0.385048D+01  0.673525D+01  0.630557D+01  0.601739D+01
      5   0.392567D+01 -0.360155D+00  0.678465D+01  0.453343D+01  0.944315D+01
      6   0.149529D+02 -0.647590D+01  0.645838D+01  0.424267D+01  0.622042D+01
               166           167           168           169           170 
      1  -0.428789D+01 -0.106153D+02 -0.475529D+01 -0.403672D+01 -0.110828D+02
      2   0.563887D+01  0.122932D+02  0.401912D+01  0.181422D+00  0.699789D+01
      3  -0.135098D+01 -0.167790D+01  0.736169D+00  0.385530D+01  0.408492D+01
      4   0.500969D+01  0.758718D+01  0.479942D+01  0.118662D+02  0.105032D+02
      5   0.248372D+01  0.482148D+01  0.397263D+01  0.131635D+02  0.111074D+02
      6   0.416462D+01  0.739333D+01  0.908567D+01  0.127925D+02  0.191121D+02
               171           172           173           174           175 
      1  -0.168024D+02  0.327817D+01 -0.889149D+00  0.524328D+01  0.302178D+01
      2   0.832763D+00 -0.372877D+01  0.177482D+01 -0.219676D+00 -0.210433D+01
      3   0.159697D+02  0.450607D+00 -0.885668D+00 -0.502360D+01 -0.917448D+00
      4   0.108722D+02 -0.520612D+00 -0.149483D+01 -0.639079D+00 -0.174333D+01
      5   0.200990D+02  0.219405D+01  0.114775D+01  0.451362D+00  0.454640D+01
      6   0.291483D+02  0.326002D+00 -0.164044D+01  0.181812D+01 -0.942264D+00
               176           177           178           179           180 
      1  -0.474982D+01 -0.299833D+01  0.494932D+01 -0.132700D+01 -0.130824D+02
      2  -0.262466D+00 -0.874089D+01 -0.358141D+01 -0.673986D+01 -0.172004D+02
      3   0.501229D+01  0.117392D+02 -0.136791D+01  0.806686D+01  0.302828D+02
      4   0.608413D+01  0.514330D+01 -0.160537D+01  0.689508D+01  0.718883D+01
      5   0.355785D+01  0.113251D+02  0.649760D+01  0.453831D+01  0.227957D+02
      6   0.221184D+01  0.665047D+00 -0.463547D+00  0.370069D+01 -0.530843D+01
               181           182           183           184           185 
      1   0.751141D+02 -0.129169D+02  0.167562D+01 -0.513787D+01  0.415509D+01
      2  -0.344278D+02  0.237356D+01 -0.292957D+01 -0.855996D+00  0.170366D+01
      3  -0.406863D+02  0.105433D+02  0.125395D+01  0.599386D+01 -0.585875D+01
      4  -0.407576D+02  0.192566D+02 -0.287792D+01  0.139128D+02 -0.896447D+01
      5   0.177495D+02 -0.454663D+01  0.115807D+02 -0.104354D+01  0.153003D+01
      6  -0.320342D+01  0.294965D+01 -0.476590D+01  0.115052D+01 -0.191662D+01
               186           187           188           189           190 
      1   0.161109D+00 -0.565829D+01  0.797609D+00  0.528939D+01 -0.702182D+00
      2  -0.114883D+01  0.821828D+00 -0.170350D+00 -0.449289D+01  0.384431D+01
      3   0.987726D+00  0.483646D+01 -0.627259D+00 -0.796500D+00 -0.314213D+01
      4   0.809030D+00  0.401930D+01 -0.220453D+01 -0.160483D+01 -0.898651D+00
      5   0.187362D-01  0.835686D+01 -0.425636D+00  0.296557D+00 -0.933518D+00
      6   0.135548D+01 -0.297176D+01  0.113218D+01  0.609724D+00 -0.136139D+01
               191           192           193           194           195 
      1  -0.122842D+02  0.400307D+01 -0.859332D+01 -0.296864D+02  0.776312D+01
      2   0.135972D+02 -0.223185D+01  0.574275D+01  0.427898D+02 -0.749627D+01
      3  -0.131301D+01 -0.177122D+01  0.285057D+01 -0.131033D+02 -0.266851D+00
      4  -0.186495D+01  0.124045D+01  0.631513D+01 -0.241150D+02  0.630680D+01
      5  -0.301961D+00 -0.195469D+01 -0.338573D+01  0.409220D+01 -0.408854D+01
      6  -0.598584D+01  0.450003D+01 -0.767242D+00 -0.184617D+02  0.109669D+02
               196           197           198 
      1   0.583704D+00  0.587148D+01 -0.703200D+01
      2  -0.129074D+00 -0.492623D+01  0.385244D+01
      3  -0.454630D+00 -0.945251D+00  0.317957D+01
      4   0.816121D+00  0.332358D+01 -0.133342D+01
      5   0.428815D+00 -0.203348D+01  0.254488D+01
      6   0.173806D+01  0.909553D+01 -0.491087D+01
 Leave Link  716 at Fri Jul 23 18:35:39 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143150D+03  0.169456D+01 -0.241088D+01
      2   0.169456D+01  0.121872D+03  0.526769D+01
      3  -0.241088D+01  0.526769D+01  0.816541D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.265290D+01 -0.208877D+01  0.242592D+01
      2   0.985636D+01 -0.143456D+02  0.133304D+02
      3   0.140101D+01  0.332212D+02  0.117910D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.809745D+02 -0.120419D+02  0.854300D+01
      2   0.368084D+02  0.456591D+01 -0.561063D+01
      3   0.441661D+02  0.747602D+01 -0.293237D+01
      4  -0.205293D+02 -0.370771D+02 -0.305362D+02
      5   0.210714D+02 -0.308473D+02  0.370144D+02
      6  -0.136081D+02  0.635030D+01 -0.195221D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.126196D+01 -0.153876D+01 -0.611471D+00 -0.453922D+01  0.258984D+00
      2  -0.153876D+01 -0.247623D+01 -0.733345D+00  0.258984D+00 -0.227101D+01
      3  -0.611471D+00 -0.733345D+00 -0.178768D+01  0.112497D+01  0.860576D+00
                 6             7             8             9            10 
      1   0.112497D+01 -0.165835D+01  0.669080D+00 -0.383220D+01 -0.468893D+01
      2   0.860576D+00  0.669080D+00  0.127841D+01 -0.308307D+01  0.131489D+01
      3  -0.141741D+01 -0.383220D+01 -0.308307D+01 -0.670956D+00 -0.407215D+00
                11            12            13            14            15 
      1   0.131489D+01 -0.407215D+00  0.215964D+01  0.165146D+01  0.122194D+01
      2  -0.255309D+01 -0.125502D+00  0.165146D+01  0.184680D+01 -0.564689D+00
      3  -0.125502D+00 -0.199334D+01  0.122194D+01 -0.564689D+00  0.330503D+00
                16            17            18            19            20 
      1   0.876725D-01  0.143199D+01 -0.493057D+01 -0.972225D+00  0.381037D+01
      2   0.143199D+01  0.272399D+00  0.111964D+01  0.381037D+01  0.120307D+01
      3  -0.493057D+01  0.111964D+01  0.145701D+01  0.498927D+00 -0.232374D+00
                21            22            23            24            25 
      1   0.498927D+00 -0.506083D+01  0.852214D+00 -0.614952D-01 -0.711252D+00
      2  -0.232374D+00  0.852214D+00 -0.218303D+01  0.951393D+00 -0.101747D+01
      3   0.379579D+00 -0.614952D-01  0.951393D+00 -0.143272D+01 -0.239748D+00
                26            27            28            29            30 
      1  -0.101747D+01 -0.239748D+00  0.134034D+02 -0.407315D+01 -0.332858D+00
      2   0.119725D+01 -0.357900D+01 -0.407315D+01  0.442948D+01  0.233986D+00
      3  -0.357900D+01 -0.255472D+01 -0.332858D+00  0.233986D+00  0.145723D+01
                31            32            33            34            35 
      1  -0.848207D+01 -0.198205D+01 -0.573013D+00 -0.211616D+01 -0.116217D+01
      2  -0.198205D+01 -0.394795D+00  0.374585D-01 -0.116217D+01 -0.529368D+00
      3  -0.573013D+00  0.374585D-01 -0.180001D+00  0.327201D+01 -0.155772D+01
                36            37            38            39            40 
      1   0.327201D+01  0.294919D+01  0.389370D+01  0.740790D+00  0.122412D+02
      2  -0.155772D+01  0.389370D+01  0.635427D+01  0.134951D+01  0.306443D+01
      3  -0.147567D+01  0.740790D+00  0.134951D+01  0.134213D+01  0.665231D-01
                41            42            43            44            45 
      1   0.306443D+01  0.665231D-01  0.294668D+01  0.277214D+00  0.224042D+01
      2   0.475161D+01 -0.386890D+00  0.277214D+00 -0.115099D+01  0.239608D+01
      3  -0.386890D+00  0.929027D+00  0.224042D+01  0.239608D+01  0.409299D+00
                46            47            48            49            50 
      1   0.123093D+01 -0.331718D+01 -0.431832D+00  0.473656D+01 -0.565308D+00
      2  -0.331718D+01 -0.278260D+01  0.427678D+00 -0.565308D+00  0.137326D+01
      3  -0.431832D+00  0.427678D+00 -0.102502D-02  0.158309D+00 -0.751066D+00
                51            52            53            54            55 
      1   0.158309D+00  0.367010D+00  0.102734D+01 -0.180386D+01 -0.288184D+01
      2  -0.751066D+00  0.102734D+01 -0.768233D+00  0.351249D+01  0.268359D+01
      3   0.143816D+01 -0.180386D+01  0.351249D+01  0.236103D+01 -0.894290D-01
                56            57            58            59            60 
      1   0.268359D+01 -0.894290D-01  0.411681D+01 -0.403527D+01  0.557684D+00
      2  -0.289178D+01  0.591700D+00 -0.403527D+01 -0.174287D+01  0.163308D+01
      3   0.591700D+00 -0.203095D+01  0.557684D+00  0.163308D+01  0.318036D+01
                61            62            63            64            65 
      1  -0.189110D+01  0.105052D+01 -0.429450D+01 -0.590623D+01 -0.190579D+01
      2   0.105052D+01  0.848062D+00  0.416531D+01 -0.190579D+01  0.166736D+01
      3  -0.429450D+01  0.416531D+01  0.167070D+01 -0.228832D+01  0.189722D+00
                66            67            68            69            70 
      1  -0.228832D+01 -0.183856D+01  0.161984D+01  0.349454D+00 -0.373336D+01
      2   0.189722D+00  0.161984D+01  0.291226D+01 -0.131478D+01  0.116026D-02
      3   0.487438D+00  0.349454D+00 -0.131478D+01 -0.143375D+01 -0.328796D+00
                71            72            73            74            75 
      1   0.116026D-02 -0.328796D+00 -0.202948D+01 -0.325862D+00 -0.235438D+00
      2  -0.359077D+00 -0.213494D+01 -0.325862D+00 -0.193707D+01 -0.172056D+01
      3  -0.213494D+01  0.544792D+01 -0.235438D+00 -0.172056D+01 -0.161543D+01
                76            77            78            79            80 
      1  -0.816165D+00 -0.350820D+01 -0.128781D+01 -0.176146D+01 -0.262739D+01
      2  -0.350820D+01 -0.747060D+01  0.163007D+01 -0.262739D+01  0.163146D+01
      3  -0.128781D+01  0.163007D+01 -0.107339D+01 -0.319967D+01 -0.296915D+01
                81            82            83            84            85 
      1  -0.319967D+01 -0.716523D+01 -0.440281D+01 -0.387239D+00 -0.430345D+01
      2  -0.296915D+01 -0.440281D+01 -0.336999D+01 -0.215567D+00 -0.423876D+01
      3  -0.423633D+01 -0.387239D+00 -0.215567D+00 -0.706013D+00 -0.647067D+00
                86            87            88            89            90 
      1  -0.423876D+01 -0.647067D+00 -0.262190D+00 -0.476975D+00 -0.400717D-01
      2  -0.487855D+01 -0.578916D+00 -0.476975D+00 -0.798429D+00 -0.959150D-01
      3  -0.578916D+00 -0.708237D+00 -0.400717D-01 -0.959150D-01 -0.961468D-01
                91            92            93            94            95 
      1  -0.123084D+02  0.234983D+01  0.150984D+01  0.239485D+01 -0.201558D+01
      2   0.234983D+01 -0.120458D+01 -0.268321D+00 -0.201558D+01  0.102798D+01
      3   0.150984D+01 -0.268321D+00 -0.109966D+01 -0.624121D+00  0.325256D+00
                96            97            98            99           100 
      1  -0.624121D+00  0.166615D+01 -0.631159D+00 -0.215402D+00  0.541333D+00
      2   0.325256D+00 -0.631159D+00  0.280932D+00  0.101229D+00 -0.135320D+01
      3   0.349192D+00 -0.215402D+00  0.101229D+00  0.223214D+00 -0.314493D+00
               101           102           103           104           105 
      1  -0.135320D+01 -0.314493D+00 -0.988170D+00  0.735963D+00  0.139893D+00
      2   0.125627D+01  0.411959D+00  0.735963D+00 -0.963286D+01 -0.211737D+01
      3   0.411959D+00  0.258945D+00  0.139893D+00 -0.211737D+01 -0.139452D+01
               106           107           108           109           110 
      1  -0.318886D+00  0.412159D+00  0.526561D-02 -0.136284D+01  0.186539D+01
      2   0.412159D+00 -0.228965D+01 -0.539293D+00  0.186539D+01 -0.185007D+01
      3   0.526561D-02 -0.539293D+00 -0.383336D+00  0.484878D+00 -0.489884D+00
               111           112           113           114           115 
      1   0.484878D+00  0.171900D+01 -0.278490D+01 -0.621286D+00  0.444267D+00
      2  -0.489884D+00 -0.278490D+01  0.948469D+01  0.196172D+01 -0.751251D+00
      3  -0.377535D+00 -0.621286D+00  0.196172D+01  0.134409D+01 -0.236448D+00
               116           117           118           119           120 
      1  -0.751251D+00 -0.236448D+00  0.193091D+01 -0.138777D+01 -0.141300D+01
      2   0.203466D+01  0.489228D+00 -0.138777D+01  0.108624D+01  0.419695D+00
      3   0.489228D+00  0.353854D+00 -0.141300D+01  0.419695D+00  0.138001D+01
               121           122           123           124           125 
      1  -0.300828D+01  0.221966D+01  0.927868D+00 -0.245671D+01  0.118647D+01
      2   0.221966D+01 -0.304592D+01 -0.215997D+01  0.118647D+01 -0.237380D+01
      3   0.927868D+00 -0.215997D+01 -0.280817D+01  0.253677D+01 -0.283384D+01
               126           127           128           129           130 
      1   0.253677D+01 -0.799825D+01  0.163435D+01  0.643171D+00 -0.123840D+01
      2  -0.283384D+01  0.163435D+01  0.270108D+01 -0.109535D+01  0.303699D+01
      3  -0.533361D+01  0.643171D+00 -0.109535D+01  0.196486D+01 -0.132754D+01
               131           132           133           134           135 
      1   0.303699D+01 -0.132754D+01  0.506420D+01 -0.236147D+01  0.298404D+01
      2   0.331846D+01 -0.133670D+01 -0.236147D+01 -0.146667D+00 -0.352876D+01
      3  -0.133670D+01 -0.305992D+01  0.298404D+01 -0.352876D+01 -0.156197D+01
               136           137           138           139           140 
      1   0.109672D+01  0.546995D+00 -0.928450D+00  0.565910D+00  0.344050D+00
      2   0.546995D+00 -0.156402D+00 -0.195309D+00  0.344050D+00  0.824064D+00
      3  -0.928450D+00 -0.195309D+00  0.217367D+00 -0.485392D+00 -0.124527D+01
               141           142           143           144           145 
      1  -0.485392D+00 -0.159332D+01 -0.612698D+00  0.217566D+01  0.106181D+02
      2  -0.124527D+01 -0.612698D+00 -0.186495D+01  0.235602D+01  0.201113D+01
      3   0.159095D+01  0.217566D+01  0.235602D+01 -0.843144D+01  0.926915D+00
               146           147           148           149           150 
      1   0.201113D+01  0.926915D+00  0.138069D+01  0.130571D+01  0.177399D-01
      2   0.142791D+01 -0.462226D-01  0.130571D+01  0.490167D+00  0.313308D+00
      3  -0.462226D-01  0.119911D+01  0.177399D-01  0.313308D+00  0.307063D+00
               151           152           153           154           155 
      1   0.308623D+01  0.512011D+00  0.144120D+01 -0.123329D+00  0.856328D+00
      2   0.512011D+00  0.696038D+00  0.499577D+00  0.856328D+00 -0.744971D+00
      3   0.144120D+01  0.499577D+00  0.878044D-01 -0.370522D+00  0.201018D+00
               156           157           158           159           160 
      1  -0.370522D+00  0.193601D+01  0.184267D+01 -0.176324D+00 -0.492814D+00
      2   0.201018D+00  0.184267D+01  0.104525D+02 -0.188668D+01 -0.154928D+00
      3   0.122491D+00 -0.176324D+00 -0.188668D+01  0.134142D+01  0.714629D+00
               161           162           163           164           165 
      1  -0.154928D+00  0.714629D+00  0.221500D+01  0.102847D+01  0.150081D+01
      2  -0.335980D+01  0.209957D+01  0.102847D+01  0.851272D+00  0.809377D+00
      3   0.209957D+01 -0.721165D+00  0.150081D+01  0.809377D+00  0.141154D+01
               166           167           168           169           170 
      1   0.731712D+00  0.159050D+01  0.684535D+00  0.393096D+01  0.248405D+01
      2   0.159050D+01  0.279561D+01  0.141846D+01  0.248405D+01  0.319432D+01
      3   0.684535D+00  0.141846D+01  0.118608D+01  0.277680D+01  0.331357D+01
               171           172           173           174           175 
      1   0.277680D+01  0.428219D+00  0.265605D+00  0.571249D+00  0.107126D+01
      2   0.331357D+01  0.265605D+00 -0.591088D+00  0.109080D+00 -0.433887D+00
      3   0.659609D+01  0.571249D+00  0.109080D+00 -0.940736D+00  0.486795D+00
               176           177           178           179           180 
      1  -0.433887D+00  0.486795D+00  0.101495D+01  0.280755D-01  0.397667D+00
      2   0.106769D+01  0.108108D+01  0.280755D-01  0.145038D+01  0.113107D+01
      3   0.108108D+01  0.270472D+01  0.397667D+00  0.113107D+01  0.591230D+01
               181           182           183           184           185 
      1   0.125641D+02 -0.299609D+01  0.903696D+00 -0.127731D+01  0.132096D+01
      2  -0.299609D+01  0.174728D+01 -0.388350D+00  0.132096D+01 -0.117438D+01
      3   0.903696D+00 -0.388350D+00  0.131136D+01  0.788875D-01  0.196574D+00
               186           187           188           189           190 
      1   0.788875D-01 -0.130493D+01  0.458412D+00  0.876684D+00 -0.279122D+00
      2   0.196574D+00  0.458412D+00 -0.388917D+00  0.811660D-01 -0.960038D+00
      3   0.161174D+00  0.876684D+00  0.811660D-01 -0.209627D-01  0.300002D-01
               191           192           193           194           195 
      1  -0.960038D+00  0.300002D-01 -0.150123D+01 -0.279482D+00 -0.105580D-01
      2  -0.216636D+01  0.767072D+00 -0.279482D+00 -0.755106D+01  0.193336D+01
      3   0.767072D+00 -0.979690D+00 -0.105580D-01  0.193336D+01 -0.135462D+01
               196           197           198 
      1  -0.307585D+00  0.257034D+00 -0.299905D+00
      2   0.257034D+00  0.114596D+01 -0.943269D+00
      3  -0.299905D+00 -0.943269D+00  0.967086D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.181520D+01  0.590941D+00 -0.261506D+01  0.258001D+01 -0.631787D+00
      2   0.218651D+01  0.160402D+01  0.388182D+01 -0.247345D+01 -0.233578D+01
      3  -0.720951D+01 -0.995485D+01 -0.116111D+01  0.836289D+01 -0.335524D+01
                 6             7             8             9            10 
      1  -0.862114D+00 -0.775065D+01  0.510877D+01  0.193933D+01  0.617469D+00
      2   0.407961D+01 -0.458942D+00  0.107214D+02  0.302409D+01 -0.982596D+00
      3   0.944478D+00  0.275328D+01  0.328615D+01 -0.482842D+01  0.520336D+01
                11            12            13            14            15 
      1   0.621721D+00  0.123003D+01  0.542384D-01 -0.253473D+01  0.841704D+00
      2   0.115860D+00  0.569929D+01 -0.382017D+01  0.342877D+00 -0.129455D+01
      3  -0.798267D+01 -0.499985D+00  0.108734D+02  0.400068D+01 -0.144665D+01
                16            17            18            19            20 
      1   0.414446D+01  0.108748D+02  0.206313D+01  0.838528D+00 -0.110038D+01
      2   0.731686D+01 -0.505913D+01 -0.370918D+01 -0.474730D+01  0.306935D+01
      3   0.343184D+01 -0.139416D+01  0.232730D+01  0.944882D+01 -0.702139D+01
                21            22            23            24            25 
      1   0.162269D+01 -0.639464D+00  0.933091D+00 -0.279934D+01  0.333242D+01
      2  -0.442887D+00  0.156414D+01  0.652999D+00  0.209922D+01 -0.135886D+02
      3  -0.341643D+01  0.588671D+01 -0.755025D+01  0.221258D-01 -0.345767D+01
                26            27            28            29            30 
      1  -0.558939D-01 -0.993495D+00  0.290686D+00  0.228918D+00  0.159307D+01
      2   0.311474D+01  0.361944D+01  0.239634D+01 -0.348650D+01 -0.214149D+01
      3   0.115200D+01 -0.548852D+01 -0.507948D+01  0.121603D+02  0.188432D+01
                31            32            33            34            35 
      1   0.246165D+00 -0.322254D+01 -0.878280D+00  0.401199D+01  0.965790D+01
      2  -0.161711D+01  0.765180D+00  0.289807D+00 -0.138437D+02 -0.507258D+00
      3   0.111353D+02 -0.929141D+01  0.135826D+01 -0.578731D+00 -0.167045D+01
                36            37            38            39            40 
      1   0.499155D+00 -0.189466D+01 -0.435492D+00 -0.917320D+00  0.730157D+00
      2   0.735076D+00 -0.341955D+00  0.699806D-01 -0.140710D+01  0.364406D+01
      3  -0.258552D+01 -0.275956D+01  0.911436D+01  0.247351D+01  0.122184D+02
                41            42            43            44            45 
      1  -0.643527D+00 -0.628016D+00 -0.447435D+01  0.761797D+01  0.181099D+01
      2  -0.273517D+01 -0.158434D+01 -0.135551D+02 -0.936498D+00  0.586050D+00
      3   0.179627D+02  0.122023D+01 -0.505548D+00  0.294046D+01  0.490787D+01
                46            47            48            49            50 
      1   0.663779D+00 -0.102677D+01 -0.572097D+00 -0.676547D+00 -0.453146D-01
      2   0.744117D+00  0.198107D+01  0.319380D+00  0.238736D+01  0.215310D+01
      3  -0.471458D+01 -0.155863D+02 -0.217713D+01  0.261330D+00  0.338776D+01
                51            52            53            54            55 
      1  -0.235591D+01  0.311400D+01  0.513083D+00 -0.822675D+00 -0.169885D+01
      2  -0.384287D+01 -0.106865D+02 -0.864815D+01 -0.362604D+01 -0.839997D-01
      3  -0.132232D+01 -0.203365D+01 -0.197357D+01  0.513475D+01 -0.793761D+00
                56            57            58            59            60 
      1   0.632633D+00 -0.231493D+01  0.184548D+00  0.457530D+01 -0.999164D-01
      2   0.245709D+01 -0.290865D+00  0.336767D+01  0.429756D+00  0.597749D+01
      3  -0.385981D+01  0.914030D+00  0.987208D+01  0.116051D+02 -0.480770D+01
                61            62            63            64            65 
      1  -0.581115D+01  0.708908D+01  0.243397D+00  0.410145D+01 -0.205677D+01
      2  -0.142258D+02  0.893024D+01  0.117186D+01 -0.119933D+02 -0.709600D+00
      3   0.197773D+01 -0.532170D+01 -0.416683D+01  0.519101D+00 -0.107035D+02
                66            67            68            69            70 
      1  -0.555694D+00 -0.938381D+00 -0.242496D+01  0.106257D+01  0.863426D+00
      2   0.127696D+01  0.463762D+00 -0.531090D+00 -0.386280D+01 -0.835264D+01
      3  -0.354014D+01 -0.673915D+01 -0.712887D+01  0.496857D+01 -0.616398D+01
                71            72            73            74            75 
      1   0.543454D+01 -0.423812D+01  0.130585D+01  0.467971D+01  0.323937D+01
      2  -0.641316D+01  0.122312D+02  0.252579D+00 -0.140958D+01  0.204981D+00
      3   0.347339D+01  0.494723D+01 -0.409025D+01 -0.300952D+01  0.118845D+01
                76            77            78            79            80 
      1   0.200251D+01 -0.806470D+01  0.433188D+00  0.962717D+01  0.120439D+02
      2  -0.174827D+01  0.263588D+01  0.103952D+00 -0.776720D+01 -0.241552D+01
      3   0.112220D+02 -0.494001D+00 -0.728952D+01 -0.240094D+00 -0.123789D+02
                81            82            83            84            85 
      1   0.905389D+01  0.247924D+00  0.502348D+00 -0.238301D+01 -0.435138D+00
      2  -0.320661D+01 -0.443353D+00 -0.438211D+00  0.374466D+01  0.923020D+00
      3  -0.533937D+01 -0.169649D+01 -0.538413D+01  0.775878D-01 -0.393529D+01
                86            87            88            89            90 
      1  -0.439010D-01 -0.258537D+01  0.121941D+01  0.126410D+01 -0.165639D+00
      2   0.920979D+00  0.327758D+01 -0.138758D+01 -0.975531D+00  0.124604D+00
      3  -0.882097D+01 -0.718662D+00 -0.950703D+00 -0.154211D+01  0.627251D-01
                91            92            93            94            95 
      1  -0.173691D+00 -0.581725D+00  0.117790D+01 -0.449051D-01  0.183837D+00
      2  -0.178015D+01  0.282576D+00  0.613450D+01  0.153138D+01 -0.725300D+00
      3   0.189530D+01 -0.543822D+01 -0.194775D+00 -0.404234D+01  0.283872D+01
                96            97            98            99           100 
      1  -0.639941D+00 -0.824514D+00  0.491514D+00 -0.124538D+00  0.262119D+00
      2  -0.177919D+01 -0.202092D+01  0.470783D+00 -0.638333D+00  0.719234D+00
      3   0.713386D+00 -0.181203D+01  0.144650D+01  0.129276D+00 -0.379839D+01
               101           102           103           104           105 
      1   0.553332D-01  0.103406D+01 -0.228764D+00  0.833632D+00 -0.465653D+01
      2  -0.944142D+00 -0.104858D+00 -0.126818D+01  0.236185D+01  0.806775D+00
      3   0.393879D+01  0.991875D+00  0.611161D+01 -0.122337D+02 -0.280844D+01
               106           107           108           109           110 
      1  -0.319020D+00  0.215918D+01 -0.695352D+00 -0.194901D+00  0.134235D+00
      2  -0.114393D+01  0.620427D+00  0.453241D-01 -0.392743D+00  0.384421D+00
      3   0.138858D+01 -0.323063D+01 -0.346010D+00  0.889320D+00 -0.867652D+00
               111           112           113           114           115 
      1   0.110426D+01  0.120945D+00  0.632580D+00 -0.458910D+01 -0.361613D+00
      2   0.971002D+00  0.761091D-01 -0.306652D+01 -0.290388D+01 -0.724991D+00
      3  -0.240511D+00  0.696987D+00  0.142689D+02  0.283397D+01 -0.901362D-01
               116           117           118           119           120 
      1   0.193308D+01 -0.709120D+00 -0.776992D+00 -0.568897D+00  0.135327D+01
      2  -0.476092D-01 -0.445900D+00 -0.100881D+01  0.284956D+00  0.259315D+01
      3   0.317143D+01  0.233945D+00  0.136058D+01 -0.304619D+01  0.268879D+00
               121           122           123           124           125 
      1   0.204409D+00  0.590048D+00 -0.257163D+01  0.196914D+01  0.938997D+00
      2  -0.267529D+00 -0.255339D+01 -0.495874D+01  0.119755D+01 -0.394330D+01
      3   0.661695D+00  0.346581D+01  0.371092D+01  0.106127D+01  0.465697D+01
               126           127           128           129           130 
      1  -0.366299D+01  0.286678D+01  0.204924D+01  0.259086D+01 -0.149564D+01
      2  -0.801540D+01  0.108753D+02 -0.604268D+01  0.750684D+01 -0.594221D+01
      3   0.375533D+01  0.894557D+01 -0.130682D+02  0.143206D+01 -0.545008D+01
               131           132           133           134           135 
      1   0.369439D+01 -0.106991D+02  0.261988D+01 -0.581396D+01 -0.617293D+01
      2  -0.537595D+01 -0.711609D+01  0.512536D+01 -0.771776D+01 -0.564815D+01
      3  -0.163943D+02  0.659880D+01 -0.885521D-01  0.670500D+01  0.477806D+01
               136           137           138           139           140 
      1   0.125100D+00  0.667998D+00 -0.525644D-01  0.668115D+00  0.690744D-01
      2  -0.540083D+00 -0.141151D+00  0.874285D+00 -0.368162D+00 -0.255921D+01
      3  -0.677060D+00  0.752622D+00 -0.249865D+00  0.270714D+01 -0.118392D+01
               141           142           143           144           145 
      1  -0.116410D+01 -0.133705D+01  0.211385D+01  0.643516D+01 -0.230667D+01
      2   0.326944D+01  0.724791D+00  0.435877D+01 -0.176196D+02  0.876832D+01
      3   0.249995D+01 -0.923708D+00  0.487351D+01 -0.254934D+01  0.642852D+01
               146           147           148           149           150 
      1  -0.798519D+00 -0.158356D+01 -0.750836D+00 -0.448819D+00 -0.130796D+01
      2   0.117584D+01  0.623958D+01  0.977061D+00  0.158462D+01  0.107450D+01
      3  -0.531781D+01  0.112110D+01 -0.754468D+00  0.222808D+00 -0.129722D+01
               151           152           153           154           155 
      1  -0.159945D+01 -0.887096D-01 -0.784134D+00  0.458293D+00 -0.844090D+00
      2   0.417647D+01  0.142585D+01  0.173675D+01  0.160650D+00  0.599337D+00
      3   0.227162D+01 -0.275551D+01  0.179804D+00 -0.156819D+01  0.334668D+00
               156           157           158           159           160 
      1   0.168783D-01  0.168070D+01  0.584707D+01 -0.571834D+01 -0.184031D+01
      2   0.107042D+01 -0.385491D+00 -0.218169D+01  0.133240D+01  0.184046D+00
      3  -0.139839D+01  0.470393D+01 -0.864852D+01  0.226330D+01 -0.223840D+01
               161           162           163           164           165 
      1  -0.404606D+01  0.240178D+01 -0.306478D+01 -0.995142D+00 -0.326874D+01
      2   0.148203D+01 -0.858471D+00 -0.446529D+00  0.633710D+00  0.226371D+01
      3   0.464843D+01 -0.881717D+00  0.558099D+01 -0.111851D+00  0.222769D+01
               166           167           168           169           170 
      1  -0.120800D+01 -0.165143D+01 -0.303484D+01 -0.628003D+01 -0.464327D+01
      2   0.561819D+00  0.102197D+01  0.144063D+01  0.730930D+00  0.282265D+01
      3  -0.357401D+00 -0.255719D+00  0.134533D-01  0.650182D+01  0.158439D+01
               171           172           173           174           175 
      1  -0.147636D+02  0.130482D+01 -0.144910D+01 -0.126733D+01 -0.579995D+00
      2   0.635746D+01  0.168497D+01 -0.289637D+00 -0.210210D+01 -0.102602D+01
      3   0.209833D+01 -0.100210D+01  0.822287D+00 -0.695188D+00  0.110301D+01
               176           177           178           179           180 
      1   0.495297D+01  0.451152D+01 -0.113735D+00  0.642247D+01  0.101638D+02
      2   0.342855D+01  0.634846D+01 -0.299767D+01  0.354060D+01  0.137320D+02
      3  -0.279682D+01 -0.334728D+01 -0.766884D+00 -0.408701D+01 -0.358871D+01
               181           182           183           184           185 
      1   0.635584D-01  0.107156D+01  0.241122D+01  0.863858D+00 -0.541857D+00
      2  -0.755857D+01  0.879272D+00  0.596653D+01  0.130274D+01 -0.105499D+00
      3  -0.129158D+02 -0.343966D+01 -0.141684D+00  0.775361D-01  0.163746D+01
               186           187           188           189           190 
      1  -0.261712D+00  0.113604D+01  0.987532D+00  0.917151D-01 -0.122061D+01
      2   0.148360D+00  0.128268D+01  0.419174D+00 -0.701508D+00  0.132646D+01
      3  -0.486316D+00  0.450731D+00 -0.754038D-01 -0.182369D+01  0.518392D+01
               191           192           193           194           195 
      1  -0.137775D+01 -0.184332D+01 -0.113314D+01 -0.469135D+01 -0.282529D+01
      2   0.255694D+01 -0.142930D+01  0.211747D+01  0.587182D+01 -0.290578D+01
      3   0.672912D+01 -0.149706D+01  0.697136D+01  0.196139D+02 -0.482739D+01
               196           197           198 
      1  -0.476354D+00  0.936712D+00  0.106302D+01
      2  -0.157178D+01 -0.209297D+01  0.230935D+01
      3   0.132210D-01 -0.350874D+01  0.304352D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.353855D+01 -0.203745D+02 -0.321035D+01  0.282123D+02  0.169306D+01
      2  -0.733547D+00  0.149878D+02 -0.244881D+00 -0.261862D+02 -0.496180D+01
      3   0.427210D+01  0.538671D+01  0.345524D+01 -0.202617D+01  0.326874D+01
      4  -0.193286D+02  0.117478D+02  0.522398D+01  0.290091D+01 -0.151154D+02
      5   0.117523D+01  0.345647D+01  0.882698D+01 -0.659798D+01 -0.754961D+01
      6   0.259313D+01  0.327727D+01  0.630667D+01 -0.765876D+01 -0.430481D+01
                 6             7             8             9            10 
      1  -0.138875D+01  0.116306D+02  0.386999D+01  0.675797D+01 -0.957101D+01
      2   0.219954D+01 -0.125015D+02 -0.585777D+01 -0.107275D+02  0.658711D+01
      3  -0.810783D+00  0.870850D+00  0.198778D+01  0.396953D+01  0.298390D+01
      4  -0.964096D+01 -0.877967D+00 -0.101314D+02  0.133708D+02  0.587505D+01
      5   0.841834D+01  0.257906D+02  0.158510D+02  0.613198D+01  0.626475D+01
      6   0.259969D+01  0.865774D+01  0.108411D+02 -0.295789D+01  0.780046D+00
                11            12            13            14            15 
      1   0.487075D+01  0.648586D+01 -0.218693D+02 -0.195954D+02 -0.634609D+01
      2  -0.267890D+01 -0.297183D+01  0.183136D+02  0.179568D+02  0.741055D+01
      3  -0.219185D+01 -0.351404D+01  0.355564D+01  0.163862D+01 -0.106447D+01
      4   0.221259D+02  0.668866D+00 -0.199142D+02  0.134440D+02  0.776059D+01
      5   0.326567D+00  0.124360D+02 -0.111716D+02  0.506009D+01 -0.253870D+01
      6  -0.335931D+00 -0.280914D+01  0.653541D+01  0.355297D+01 -0.144621D+01
                16            17            18            19            20 
      1   0.399388D+01 -0.935932D+01  0.134522D+02  0.116378D+02  0.498622D+01
      2   0.226810D+01  0.692807D+01 -0.178375D+02 -0.957610D+01 -0.747711D+01
      3  -0.626198D+01  0.243125D+01  0.438529D+01 -0.206175D+01  0.249090D+01
      4  -0.134554D+02  0.384998D+01 -0.370040D+01  0.103585D+02 -0.226024D+02
      5   0.335702D+02 -0.591513D+01 -0.768062D+01 -0.965215D+00 -0.227170D+01
      6  -0.193405D+01  0.519248D+01 -0.291917D+01 -0.176464D+01  0.106460D+01
                21            22            23            24            25 
      1  -0.136342D+01  0.715360D+01  0.997096D+01  0.551401D+01 -0.188904D+01
      2   0.885895D+00 -0.254233D+00 -0.146898D+02 -0.791574D+01  0.229189D+01
      3   0.477525D+00 -0.689937D+01  0.471884D+01  0.240174D+01 -0.402854D+00
      4  -0.441299D+01  0.165583D+02  0.983341D+01 -0.143820D+00  0.114714D+01
      5  -0.359925D+01  0.643142D+00  0.470513D+00  0.259240D+01  0.172165D+01
      6  -0.317384D+01  0.262487D+01 -0.120251D+02  0.358055D+01  0.509212D-01
                26            27            28            29            30 
      1   0.442373D+01 -0.147134D+02 -0.223446D+02  0.866647D+01  0.245151D+01
      2  -0.112848D+02  0.216610D+01  0.129991D+02 -0.481066D+01 -0.254113D+00
      3   0.686105D+01  0.125473D+02  0.934546D+01 -0.385582D+01 -0.219740D+01
      4   0.292913D+01  0.925611D+01 -0.113274D+02  0.948392D+01  0.568054D+00
      5   0.814729D+01  0.755441D+01  0.400050D+01 -0.137212D+01 -0.150788D+01
      6   0.154764D+02  0.612384D+01 -0.273573D+01 -0.364546D+00 -0.230415D+01
                31            32            33            34            35 
      1  -0.384466D+01 -0.376535D+01  0.928144D-01  0.684244D+01 -0.120239D+01
      2   0.890370D+01  0.890372D+01  0.201818D+01 -0.159955D+00  0.337740D+00
      3  -0.505904D+01 -0.513837D+01 -0.211100D+01 -0.668248D+01  0.864653D+00
      4  -0.676853D+01  0.961903D+01  0.163538D+01 -0.422378D+01  0.139065D+01
      5  -0.259085D+01  0.125413D+00 -0.566953D+00  0.350915D+01 -0.831949D+00
      6   0.603417D+01  0.248653D+01  0.151207D+01 -0.170616D+01  0.560258D+01
                36            37            38            39            40 
      1  -0.980598D+01 -0.175491D+02 -0.250367D+02 -0.486116D+01 -0.596697D+01
      2  -0.355706D+01  0.132833D+02  0.189716D+02  0.295582D+01 -0.364335D+01
      3   0.133630D+02  0.426576D+01  0.606508D+01  0.190534D+01  0.961032D+01
      4  -0.332602D+01 -0.560604D+01 -0.283246D+01  0.202253D+01  0.502107D+01
      5   0.807483D+00 -0.878935D+00  0.228788D+01 -0.789634D+00  0.423875D+01
      6  -0.122345D+01  0.617446D+01  0.411271D+01  0.198253D+01 -0.671726D+01
                41            42            43            44            45 
      1  -0.732672D+01  0.287641D+01 -0.252618D+00  0.633688D+01 -0.103738D+02
      2   0.734146D+01  0.232029D+00 -0.172809D+01 -0.461465D+01  0.405793D+00
      3  -0.147371D-01 -0.310844D+01  0.198071D+01 -0.172224D+01  0.996800D+01
      4  -0.779068D+01 -0.252560D+01  0.218870D+01 -0.103506D+01 -0.106338D+01
      5  -0.201732D+01 -0.188608D+01  0.393557D+01 -0.248183D+01  0.109256D+01
      6  -0.516248D+00  0.248940D+01  0.136665D+01  0.785555D+01 -0.200304D+01
                46            47            48            49            50 
      1   0.166527D+02  0.176165D+02 -0.327066D+00 -0.174999D+02  0.138897D+02
      2  -0.152052D+02 -0.129966D+02 -0.707303D+00  0.139758D+02 -0.187979D+02
      3  -0.144746D+01 -0.461997D+01  0.103437D+01  0.352407D+01  0.490816D+01
      4   0.651786D+01 -0.162224D+02 -0.614457D+01  0.117796D+02 -0.282991D+01
      5   0.359322D+01 -0.515214D+01 -0.245145D+01  0.131412D+01  0.401515D+01
      6  -0.705844D+01  0.149880D+01 -0.181333D-01  0.317111D+01 -0.107553D+02
                51            52            53            54            55 
      1   0.426603D+01 -0.555546D+01 -0.110419D+01 -0.731371D+01  0.187658D+02
      2  -0.655512D+01  0.748342D+01 -0.760222D+01 -0.296312D+01 -0.928535D+01
      3   0.228908D+01 -0.192796D+01  0.870641D+01  0.102768D+02 -0.948045D+01
      4   0.406631D+01 -0.249148D+01  0.100210D+02 -0.145190D+02  0.921433D+01
      5  -0.693108D+01  0.835745D+01 -0.136860D+02 -0.758662D+01 -0.155432D+01
      6   0.335975D+01 -0.547355D+01  0.138364D+02  0.348739D+01  0.265117D+01
                56            57            58            59            60 
      1  -0.503212D+01  0.261579D+01 -0.406872D+01 -0.510841D+01  0.382465D+01
      2   0.257336D+01 -0.143928D+01 -0.299996D+00  0.443988D+01 -0.311105D+01
      3   0.245877D+01 -0.117651D+01  0.436871D+01  0.668531D+00 -0.713604D+00
      4  -0.108196D+02  0.240290D+01 -0.217251D+02 -0.609853D+01  0.569784D+01
      5   0.290335D+01 -0.890574D+01  0.438544D+01  0.724517D+01  0.141619D+02
      6  -0.869980D+00  0.681336D+01  0.266599D+01 -0.372594D+01 -0.119299D+02
                61            62            63            64            65 
      1  -0.452817D+01  0.556896D+01  0.218564D+01 -0.320927D+02 -0.117227D+02
      2  -0.615180D+00  0.248927D+00 -0.121164D+01  0.986041D+01  0.874058D+01
      3   0.514336D+01 -0.581788D+01 -0.973999D+00  0.222323D+02  0.298209D+01
      4   0.929681D+01  0.263243D+00  0.213939D+02 -0.148053D+02  0.807073D+00
      5  -0.214819D+02  0.191627D+02  0.574022D+01 -0.109776D+02 -0.342079D-01
      6   0.165554D+02 -0.146060D+02 -0.851082D+01 -0.393189D+01  0.202338D+00
                66            67            68            69            70 
      1  -0.112596D+02 -0.104572D+02  0.643532D+01  0.343780D+00 -0.201986D+02
      2   0.690937D+01  0.953538D+01  0.605240D+00 -0.622617D+01  0.866076D+01
      3   0.435022D+01  0.921864D+00 -0.704056D+01  0.588239D+01  0.115379D+02
      4  -0.310473D+01  0.474781D+01  0.138422D+02 -0.388897D+01 -0.607955D+01
      5   0.262650D+01  0.223929D+01 -0.649435D+01 -0.632644D+01 -0.944499D+00
      6   0.149873D+00 -0.183592D+01 -0.254115D+01 -0.285831D+01 -0.291977D+01
                71            72            73            74            75 
      1  -0.195595D+01  0.637863D+01  0.284048D+01  0.103226D+02  0.794939D+01
      2  -0.791066D+01  0.107800D+02  0.438889D+01 -0.401183D+01 -0.668048D+01
      3   0.986661D+01 -0.171586D+02 -0.722937D+01 -0.631075D+01 -0.126891D+01
      4   0.867917D+00 -0.104125D+02  0.377291D+01  0.203487D+01 -0.235157D+01
      5  -0.945553D+01  0.229422D+02  0.613980D+00 -0.423047D+01 -0.614409D+01
      6  -0.148729D+01  0.161834D+02 -0.312952D+01 -0.772215D+01 -0.630014D+01
                76            77            78            79            80 
      1   0.189027D+02  0.242608D+02 -0.764705D+01  0.130830D+02 -0.692808D+01
      2  -0.164930D+02 -0.359107D+02  0.131733D+02 -0.623400D+01  0.188057D+02
      3  -0.240970D+01  0.116499D+02 -0.552629D+01 -0.684899D+01 -0.118776D+02
      4  -0.258783D+01 -0.972163D+01  0.160938D+01 -0.611842D+01 -0.165345D+01
      5  -0.641669D+01  0.249654D+01 -0.202745D+01 -0.106959D+02 -0.832812D+01
      6  -0.299623D+01  0.121214D+02 -0.542443D+01 -0.149074D+02 -0.162494D+02
                81            82            83            84            85 
      1   0.110542D+02  0.380736D+02  0.198063D+02  0.220415D+01  0.158419D+02
      2  -0.627620D+01 -0.127774D+02 -0.314542D+01 -0.106241D+01  0.149916D+01
      3  -0.477795D+01 -0.252962D+02 -0.166609D+02 -0.114173D+01 -0.173411D+02
      4  -0.972517D+01  0.412327D+02  0.314115D+02  0.223014D+01  0.354382D+02
      5  -0.140546D+02  0.485491D+01  0.249887D+01  0.714928D+01  0.532450D+01
      6  -0.179289D+02  0.594657D+00  0.469740D+00  0.336470D+01  0.233659D+01
                86            87            88            89            90 
      1   0.103306D+02  0.163039D+01  0.852247D-01  0.322692D+00  0.431542D+00
      2   0.753665D+01 -0.588615D+00  0.118162D+01  0.113055D+01  0.316574D+00
      3  -0.178672D+02 -0.104178D+01 -0.126684D+01 -0.145324D+01 -0.748116D+00
      4   0.370371D+02  0.406744D+01  0.379336D+01  0.431196D+01  0.255464D+01
      5   0.480411D+01  0.541605D+01  0.211120D+01  0.141710D+01  0.713219D+00
      6   0.223623D+01  0.456192D+01  0.133684D+01  0.178580D+01  0.111518D+01
                91            92            93            94            95 
      1   0.891109D+02 -0.157935D+02 -0.930834D+01 -0.145183D+02  0.108151D+02
      2  -0.502812D+02  0.785937D+01  0.647620D+01  0.641374D+01 -0.452991D+01
      3  -0.388297D+02  0.793417D+01  0.283214D+01  0.810454D+01 -0.628516D+01
      4  -0.252399D+02  0.129460D+02  0.261510D+01  0.188982D+02 -0.904821D+01
      5  -0.143517D+02  0.247602D+01  0.114829D+02  0.508533D+01 -0.278658D+01
      6   0.175271D-01 -0.660716D+00 -0.139278D+01 -0.158957D+01  0.609573D+00
                96            97            98            99           100 
      1   0.275371D+01 -0.113731D+02  0.348263D+01  0.341303D+01 -0.395630D+01
      2  -0.199064D+01  0.648808D+01 -0.194466D+01 -0.230751D+01  0.547491D+01
      3  -0.763064D+00  0.488497D+01 -0.153797D+01 -0.110552D+01 -0.151862D+01
      4  -0.262423D+01  0.580623D+01 -0.289678D+01 -0.194931D+01 -0.162415D+00
      5  -0.295075D+01  0.444590D+01 -0.103496D+01 -0.254644D+01  0.136717D+00
      6   0.203364D+01 -0.717323D+00  0.108612D+01  0.728592D+00  0.206342D+01
               101           102           103           104           105 
      1   0.704430D+01  0.234718D+01  0.400205D+01 -0.377851D+02 -0.890264D+01
      2  -0.725603D+01 -0.163958D+01 -0.409099D+01  0.515596D+02  0.880709D+01
      3   0.211739D+00 -0.707603D+00  0.889462D-01 -0.137745D+02  0.955499D-01
      4   0.707139D+01  0.119142D+01  0.568756D+01  0.109670D+02  0.284830D+01
      5   0.982903D+00  0.135140D+01  0.100118D+01  0.363018D+01  0.203321D+01
      6  -0.287997D+01 -0.168836D+01 -0.910543D+00  0.156443D+02  0.103351D+02
               106           107           108           109           110 
      1   0.103549D+01 -0.877741D+01 -0.362924D+01  0.187247D+01 -0.268304D+01
      2  -0.107575D+01  0.106977D+02  0.365936D+01  0.324082D+01 -0.321664D+01
      3   0.402565D-01 -0.192031D+01 -0.301157D-01 -0.511329D+01  0.589968D+01
      4   0.121718D+01  0.197053D+01 -0.684294D+00 -0.120982D+02  0.160525D+02
      5   0.856263D+00  0.293027D+00 -0.151112D+00 -0.278033D+01  0.345966D+01
      6  -0.338625D+00  0.576509D+01  0.376185D+01  0.243143D+01 -0.269348D+01
               111           112           113           114           115 
      1  -0.457134D+00  0.197776D+01 -0.229859D+02 -0.498334D+01  0.100506D+00
      2  -0.161363D+00 -0.896821D+01  0.412663D+02  0.588010D+01 -0.158045D+01
      3   0.618497D+00  0.699045D+01 -0.182804D+02 -0.896756D+00  0.147994D+01
      4   0.366897D+01  0.181903D+02 -0.405879D+02 -0.825027D+01  0.459242D+01
      5   0.337094D+01  0.362494D+01 -0.740288D+01 -0.548438D+01  0.151050D+01
      6  -0.210823D+01 -0.397530D+01  0.129543D+02  0.951663D+01 -0.152451D+01
               116           117           118           119           120 
      1  -0.405633D+01 -0.292748D+01  0.398747D+01 -0.169616D+01 -0.305396D+01
      2   0.705241D+01  0.330264D+01 -0.338476D+01  0.926437D+00  0.268957D+01
      3  -0.299607D+01 -0.375163D+00 -0.602711D+00  0.769721D+00  0.364389D+00
      4  -0.942488D+01 -0.243317D+01 -0.788140D+01  0.902614D+01  0.430764D+01
      5  -0.212592D+01 -0.159407D+01 -0.811185D+01  0.376796D+01  0.105352D+02
      6   0.529472D+01  0.357076D+01  0.537555D+01 -0.265057D+01 -0.411780D+01
               121           122           123           124           125 
      1   0.438325D+00 -0.559425D+01 -0.551043D+01 -0.989140D+00 -0.548589D+01
      2  -0.700984D+00  0.558768D+01  0.258672D+01  0.382048D+01  0.589169D+00
      3   0.262660D+00  0.657427D-02  0.292371D+01 -0.283134D+01  0.489672D+01
      4   0.132475D+02 -0.135958D+02 -0.910488D+01  0.767780D+01 -0.991086D+01
      5   0.578991D+01 -0.923081D+01 -0.117995D+02  0.154635D+02 -0.118843D+02
      6  -0.551316D+01  0.121515D+02  0.138973D+02 -0.898132D+01  0.138340D+02
               126           127           128           129           130 
      1  -0.934563D+01 -0.509872D+02  0.208425D+02 -0.425758D+01  0.123508D+02
      2  -0.561331D+01  0.200847D+02 -0.182687D+02  0.426039D+00 -0.100478D+02
      3   0.149589D+02  0.309026D+02 -0.257380D+01  0.383154D+01 -0.230308D+01
      4  -0.122605D+02  0.262826D+02  0.628585D+01 -0.421739D+01  0.118418D+02
      5  -0.220874D+02 -0.576150D+01 -0.125354D+01  0.968629D+01 -0.470040D+01
      6   0.188986D+02 -0.187935D+01  0.737418D+01 -0.508223D+01  0.640070D+01
               131           132           133           134           135 
      1   0.224392D+02 -0.109145D+01  0.338536D+01 -0.240469D+01  0.736481D+01
      2  -0.237573D+02  0.145931D+02 -0.325025D+01  0.117476D+02  0.764528D+01
      3   0.131817D+01 -0.135016D+02 -0.135108D+00 -0.934287D+01 -0.150101D+02
      4   0.462652D+01 -0.393728D+01 -0.143991D+02  0.114342D+01 -0.212570D+02
      5  -0.170895D+00 -0.141560D+02  0.175874D+02 -0.178635D+02 -0.289112D+01
      6   0.868376D+01  0.464045D+01 -0.117900D+02  0.749089D+01 -0.444297D+01
               136           137           138           139           140 
      1   0.437719D+01  0.330549D+01 -0.389384D+01  0.155066D+01 -0.487358D+01
      2  -0.446499D+01 -0.225150D+01  0.240010D+01 -0.135191D+01  0.112366D+01
      3   0.877982D-01 -0.105398D+01  0.149374D+01 -0.198749D+00  0.374992D+01
      4   0.391107D+01  0.139054D+01 -0.282583D+01  0.408496D+01  0.356885D+01
      5  -0.491969D+01 -0.232236D+01  0.632346D+01 -0.326073D+01 -0.521506D+01
      6  -0.263814D+01 -0.371687D+00  0.840380D-01 -0.217830D+01 -0.599299D+01
               141           142           143           144           145 
      1   0.339162D+01 -0.374689D+01  0.434717D+01 -0.131350D+02  0.645156D+02
      2  -0.138483D+00  0.791736D+01  0.167848D+01 -0.190541D+02 -0.311900D+02
      3  -0.325314D+01 -0.417048D+01 -0.602565D+01  0.321891D+02 -0.333256D+02
      4  -0.610184D+01 -0.614145D+01 -0.922997D+01  0.116330D+02  0.252773D+02
      5   0.654669D+01  0.153775D+02  0.105128D+02 -0.365431D+02  0.206175D+01
      6   0.102546D+02  0.607679D+01  0.103063D+02 -0.214504D+02  0.851660D+00
               146           147           148           149           150 
      1   0.953732D+01  0.601136D+01  0.568918D+01  0.574871D+01  0.141087D+00
      2  -0.272388D+01 -0.207876D+01 -0.338679D+00 -0.491196D+00  0.123225D+01
      3  -0.681344D+01 -0.393260D+01 -0.535050D+01 -0.525751D+01 -0.137334D+01
      4   0.142633D+02  0.135767D+01  0.123371D+02  0.527381D+01  0.193272D+01
      5  -0.488847D+00  0.909645D+01 -0.204080D+00  0.160646D+01  0.158519D+01
      6  -0.243835D+00  0.255495D+01 -0.323713D+00  0.816351D+00  0.199781D+01
               151           152           153           154           155 
      1   0.152386D+02  0.206299D+01  0.572438D+01 -0.575595D+00  0.486465D+01
      2  -0.727557D+01  0.107091D+01 -0.491428D+01  0.335440D+01 -0.553607D+01
      3  -0.796304D+01 -0.313390D+01 -0.810106D+00 -0.277880D+01  0.671414D+00
      4   0.651996D+01  0.468838D+01  0.414913D+01  0.114308D+01  0.749952D+01
      5   0.998822D+01  0.280561D+01  0.236618D+01 -0.605573D+00 -0.599180D+00
      6   0.265834D+01  0.185343D+01 -0.228073D+00 -0.261492D+01  0.122719D+01
               156           157           158           159           160 
      1  -0.209978D+01 -0.402675D+01 -0.388999D+02  0.735284D+01 -0.109289D+01
      2   0.154746D+01  0.757195D+01  0.627890D+02 -0.112166D+02 -0.137649D+01
      3   0.552321D+00 -0.354521D+01 -0.238891D+02  0.386377D+01  0.246938D+01
      4  -0.167332D+01  0.991793D+01  0.176789D+02 -0.286956D+01 -0.354865D+01
      5   0.264609D+01 -0.130512D+01 -0.258769D+01  0.268557D+01  0.360030D+01
      6  -0.339673D-01 -0.208661D+01 -0.153545D+02  0.104609D+02  0.418927D+01
               161           162           163           164           165 
      1   0.130882D+02 -0.832667D+01  0.195714D+01 -0.117476D+01 -0.109485D+00
      2  -0.197457D+02  0.875857D+01 -0.349593D+01  0.143885D+01 -0.621004D-01
      3   0.665755D+01 -0.431898D+00  0.153879D+01 -0.264087D+00  0.171586D+00
      4  -0.567122D+01  0.385048D+01  0.673525D+01  0.630557D+01  0.601739D+01
      5   0.392567D+01 -0.360155D+00  0.678465D+01  0.453343D+01  0.944315D+01
      6   0.149529D+02 -0.647590D+01  0.645838D+01  0.424267D+01  0.622042D+01
               166           167           168           169           170 
      1  -0.428789D+01 -0.106153D+02 -0.475529D+01 -0.403672D+01 -0.110828D+02
      2   0.563887D+01  0.122932D+02  0.401912D+01  0.181422D+00  0.699789D+01
      3  -0.135098D+01 -0.167790D+01  0.736169D+00  0.385530D+01  0.408492D+01
      4   0.500969D+01  0.758718D+01  0.479942D+01  0.118662D+02  0.105032D+02
      5   0.248372D+01  0.482148D+01  0.397263D+01  0.131635D+02  0.111074D+02
      6   0.416462D+01  0.739333D+01  0.908567D+01  0.127925D+02  0.191121D+02
               171           172           173           174           175 
      1  -0.168024D+02  0.327817D+01 -0.889149D+00  0.524328D+01  0.302178D+01
      2   0.832763D+00 -0.372877D+01  0.177482D+01 -0.219676D+00 -0.210433D+01
      3   0.159697D+02  0.450607D+00 -0.885668D+00 -0.502360D+01 -0.917448D+00
      4   0.108722D+02 -0.520612D+00 -0.149483D+01 -0.639079D+00 -0.174333D+01
      5   0.200990D+02  0.219405D+01  0.114775D+01  0.451362D+00  0.454640D+01
      6   0.291483D+02  0.326002D+00 -0.164044D+01  0.181812D+01 -0.942264D+00
               176           177           178           179           180 
      1  -0.474982D+01 -0.299833D+01  0.494932D+01 -0.132700D+01 -0.130824D+02
      2  -0.262466D+00 -0.874089D+01 -0.358141D+01 -0.673986D+01 -0.172004D+02
      3   0.501229D+01  0.117392D+02 -0.136791D+01  0.806686D+01  0.302828D+02
      4   0.608413D+01  0.514330D+01 -0.160537D+01  0.689508D+01  0.718883D+01
      5   0.355785D+01  0.113251D+02  0.649760D+01  0.453831D+01  0.227957D+02
      6   0.221184D+01  0.665047D+00 -0.463547D+00  0.370069D+01 -0.530843D+01
               181           182           183           184           185 
      1   0.751141D+02 -0.129169D+02  0.167562D+01 -0.513787D+01  0.415509D+01
      2  -0.344278D+02  0.237356D+01 -0.292957D+01 -0.855996D+00  0.170366D+01
      3  -0.406863D+02  0.105433D+02  0.125395D+01  0.599386D+01 -0.585875D+01
      4  -0.407576D+02  0.192566D+02 -0.287792D+01  0.139128D+02 -0.896447D+01
      5   0.177495D+02 -0.454663D+01  0.115807D+02 -0.104354D+01  0.153003D+01
      6  -0.320342D+01  0.294965D+01 -0.476590D+01  0.115052D+01 -0.191662D+01
               186           187           188           189           190 
      1   0.161109D+00 -0.565829D+01  0.797609D+00  0.528939D+01 -0.702182D+00
      2  -0.114883D+01  0.821828D+00 -0.170350D+00 -0.449289D+01  0.384431D+01
      3   0.987726D+00  0.483646D+01 -0.627259D+00 -0.796500D+00 -0.314213D+01
      4   0.809030D+00  0.401930D+01 -0.220453D+01 -0.160483D+01 -0.898651D+00
      5   0.187362D-01  0.835686D+01 -0.425636D+00  0.296557D+00 -0.933518D+00
      6   0.135548D+01 -0.297176D+01  0.113218D+01  0.609724D+00 -0.136139D+01
               191           192           193           194           195 
      1  -0.122842D+02  0.400307D+01 -0.859332D+01 -0.296864D+02  0.776312D+01
      2   0.135972D+02 -0.223185D+01  0.574275D+01  0.427898D+02 -0.749627D+01
      3  -0.131301D+01 -0.177122D+01  0.285057D+01 -0.131033D+02 -0.266851D+00
      4  -0.186495D+01  0.124045D+01  0.631513D+01 -0.241150D+02  0.630680D+01
      5  -0.301961D+00 -0.195469D+01 -0.338573D+01  0.409220D+01 -0.408854D+01
      6  -0.598584D+01  0.450003D+01 -0.767242D+00 -0.184617D+02  0.109669D+02
               196           197           198 
      1   0.583704D+00  0.587148D+01 -0.703200D+01
      2  -0.129074D+00 -0.492623D+01  0.385244D+01
      3  -0.454630D+00 -0.945251D+00  0.317957D+01
      4   0.816121D+00  0.332358D+01 -0.133342D+01
      5   0.428815D+00 -0.203348D+01  0.254488D+01
      6   0.173806D+01  0.909553D+01 -0.491087D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.228258D+00      0.580174D+00      0.193525D+01
   y          0.459183D-01      0.116713D+00      0.389312D+00
   z         -0.127765D-01     -0.324747D-01     -0.108324D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.137577D+03      0.203868D+02      0.226833D+02
   yx         0.142876D+01      0.211720D+00      0.235570D+00
   yy         0.117520D+03      0.174147D+02      0.193764D+02
   zx        -0.229571D+01     -0.340189D+00     -0.378512D+00
   zy         0.520228D+01      0.770898D+00      0.857740D+00
   zz         0.775956D+02      0.114985D+02      0.127938D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115558D+03      0.171240D+02      0.190530D+02
   aniso      0.550932D+02      0.816398D+01      0.908365D+01
   xx         0.143150D+03      0.212126D+02      0.236022D+02
   yx         0.169456D+01      0.251107D+00      0.279395D+00
   yy         0.121872D+03      0.180595D+02      0.200939D+02
   zx        -0.241088D+01     -0.357256D+00     -0.397501D+00
   zy         0.526769D+01      0.780591D+00      0.868525D+00
   zz         0.816541D+02      0.120999D+02      0.134629D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.69428482         -0.93176003         -4.61669748
     6         -0.38397713          1.46501030         -4.73108323
     6          1.20186395         -2.05098395         -2.28967646
     6          0.63306044         -0.74419689         -0.08913120
     6         -0.44627950          1.65877247         -0.20412285
     6         -0.96412160          2.77134603         -2.52130509
     6          0.94046084         -1.59816551          2.62169109
     6          0.70705085          0.91829068          4.10019644
     6         -0.91515494          2.66912889          2.42024556
     1          1.14767162         -1.92552912         -6.34643646
     1         -0.76370092          2.32188632         -6.54954512
     1          2.04372014         -3.91608937         -2.20669257
     1         -1.79666858          4.63957027         -2.61871280
     1          2.79417138         -2.45652136          2.92630418
     6         -1.09305642         -3.52456920          3.36336559
     1          2.58142434          1.74927020          4.32925302
     1         -0.08796024          0.64985813          5.98238464
     1         -0.40266212          4.65629631          2.62052585
     1         -2.92297333          2.52044927          2.89735470
     1         -2.98113451         -2.72227648          3.13378915
     1         -0.87388623         -4.10473850          5.33168010
     1         -0.98278719         -5.20940403          2.17920099

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.233181D+00      0.592687D+00      0.197699D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.812907D+02      0.120460D+02      0.134030D+02
   yx        -0.127382D+02     -0.188761D+01     -0.210025D+01
   yy         0.114098D+03      0.169076D+02      0.188122D+02
   zx        -0.144736D+01     -0.214477D+00     -0.238638D+00
   zy        -0.320912D+01     -0.475542D+00     -0.529112D+00
   zz         0.137304D+03      0.203463D+02      0.226383D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115558D+03      0.171240D+02      0.190530D+02
   aniso      0.550932D+02      0.816398D+01      0.908365D+01
   xx         0.853861D+02      0.126529D+02      0.140783D+02
   yx        -0.128658D+02     -0.190652D+01     -0.212129D+01
   yy         0.118351D+03      0.175378D+02      0.195135D+02
   zx        -0.143494D+01     -0.212636D+00     -0.236589D+00
   zy        -0.320233D+01     -0.474536D+00     -0.527992D+00
   zz         0.142938D+03      0.211813D+02      0.235673D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-09\Freq\RwB97XD\Gen\C10H12\PIERPA\23-Jul-2021\0\\#P w
 B97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gue
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 ,-1.598106,1.247679,0.283733\C,1.52367,-0.639314,-0.39664\C,2.019669,0
 .816964,-0.580832\C,0.972315,1.705463,0.12574\H,-3.088043,-1.762337,-0
 .209833\H,-3.637708,0.578196,0.343549\H,-0.735344,-2.437795,-0.586593\
 H,-1.844116,2.275439,0.52314\H,1.76059,-1.24321,-1.276257\C,2.130571,-
 1.320158,0.83597\H,2.034988,1.060247,-1.645001\H,3.029412,0.962676,-0.
 195614\H,0.857874,2.679448,-0.352616\H,1.250132,1.896413,1.167459\H,1.
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 310454,0.988755\\Version=ES64L-G16RevA.03\State=1-A\HF=-388.4836191\RM
 SD=4.886e-09\RMSF=5.248e-06\ZeroPoint=0.1921718\Thermal=0.2004692\Dipo
 le=0.2282579,0.0459183,-0.0127765\DipoleDeriv=-0.0311354,0.0369779,-0.
 0027796,0.1002657,0.011351,0.0271671,0.0049391,0.0276339,-0.1422782,0.
 0204205,-0.0143791,-0.0280038,-0.0831313,-0.0461065,0.028946,-0.037123
 ,0.0235127,-0.141863,-0.0572241,0.0097003,-0.0162836,-0.0040739,0.1069
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 2734,-0.2212679,-0.1499346,0.0073362,-0.0312718,-0.0060912,-0.1043181,
 0.0256414,0.1429938,0.0070807,0.2649573,0.0170143,-0.0001154,0.1046268
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 82136,0.0527137,-0.0262653,0.043089,-0.105795,0.0779047,-0.0493497,-0.
 0021617,0.0207025,0.136373,-0.0009851,-0.0521569,0.0179925,0.1990549,0
 .1493524,0.0138901,0.027514,0.0307846,-0.0097977,-0.0099376,-0.0159108
 ,0.0011101,0.1171152,0.0351144,-0.0075623,0.031748,-0.0567136,0.104606
 1,-0.0314696,-0.0191767,-0.0655872,0.1614897,-0.0457243,-0.0893477,-0.
 0043005,-0.0933311,-0.0125954,-0.0227852,-0.0029115,-0.0247738,0.12898
 02,-0.1096302,0.0402402,0.0318236,0.040656,0.055631,-0.0198978,0.03145
 35,-0.019386,0.1271723,0.0559433,0.0513104,0.0210009,0.0271405,-0.0892
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 THERE IS MUCH PLEASURE TO BE GAINED FROM USELESS KNOWLEDGE

                                       -- BERTRAND RUSSELL
 Job cpu time:       0 days  4 hours 34 minutes 51.2 seconds.
 Elapsed time:       0 days  0 hours 17 minutes 13.3 seconds.
 File lengths (MBytes):  RWF=    256 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 18:35:40 2021.
